7-Oxo-beta-sitosterol (Q72499201)

(8S,9S,10R,13R,14S,17R)-17-(5-ethyl-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

inferred from SMILES

1 reference

inferred from SMILES

mass

428.365430776 dalton

1 reference

3beta-Hydroxyporiferast-5-en-7-one

inferred from SMILES

stereoisomer of

2 references

inferred from InChIKey

(3S,8S,9R,10S,13R,14S,17S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

inferred from InChI

2 references

inferred from InChIKey

(3S,8S,9S,10R,13R,14S,17R)-17-[(2S,5R)-5-ethyl-6-methylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-one

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₉H₄₈O₂

0 references

canonical SMILES

O=C1C=C2CC(O)CCC2(C)C3CCC4(C)C(CCC4C13)C(C)CCC(CC)C(C)C

0 references

isomeric SMILES

CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C)C(C)C

0 references

found in taxon

Duhaldea cappa

2 references

Cytotoxic germacranolide sesquiterpene from Inula cappa

Cytotoxic germacranolide sesquiterpene from Inula cappa

Salvia syriaca

2 references

Cardioactive and antibacterial terpenoids from some Salvia species

Cardioactive terpenoids and a new rearranged diterpene from Salvia syriaca

Sideritis discolor

2 references

A chemotaxonomic study of nine Canarian Sideritis species

A chemotaxonomic study of nine Canarian Sideritis species

Zanthoxylum wutaiense

1 reference

Constituents of the root wood of Zanthoxylum wutaiense with antitubercular activity

Melicope semecarpifolia

2 references

Benzoic acid derivatives, acetophenones, and anti-inflammatory constituents from Melicope semecarpifolia

Benzoic acid derivatives, acetophenones, and anti-inflammatory constituents from Melicope semecarpifolia

Microtropis japonica

2 references

Dihydroagarofuranoid sesquiterpenes, a lignan derivative, a benzenoid, and antitubercular constituents from the stem of Microtropis japonica

Dihydroagarofuranoid sesquiterpenes, a lignan derivative, a benzenoid, and antitubercular constituents from the stem of Microtropis japonica

Pilocarpus grandiflorus

2 references

A New Imidazole Alkaloid and Other Constituents from Pilocarpus grandiflorus and their Antifungal Activity

A New Imidazole Alkaloid and Other Constituents from Pilocarpus grandiflorus and their Antifungal Activity

Acorus calamus

1 reference

Two new sesquiterpenes from Acorus calamus

Apis mellifera

1 reference

Compositions of royal jelly II. Organic acid glycosides and sterols of the royal jelly of honeybees (Apis mellifera).

Aristolochia chamissonis

1 reference

Rearranged (4→2)-abeo-clerodane and clerodane diterpenes from Aristolochia chamissonis

Bauhinia purpurea

2 references

Chemical Studies of the Bark of Bauhinia purpurea.

Chemical Constituents of Heartwood ofBauhinia purpurea

Beilschmiedia tsangii

1 reference

New cytotoxic tetrahydrofuran- and dihydrofuran-type lignans from the stem of Beilschmiedia tsangii

Centaurea ptosimopappoides

1 reference

Triterpenes of Centaurea ptosimopappoides

Chenopodium rubrum

1 reference

Oxidized phytosterols increase by ageing in photoautotrophic cell cultures of Chenopodium rubrum

Conium maculatum

1 reference

Steroids from Poison Hemlock (Conium maculatum L.): A GC-MS analysis

Diospyros eriantha

1 reference

Constituents of the Heartwood of Diospyros Eriantha

Euphorbia fischeriana

1 reference

7-Oxo-, 7α-hydroxy- and 7β-hydroxysterols from Euphorbia fischeriana

Euphorbia fischeri

1 reference

7-Oxo-, 7α-hydroxy- and 7β-hydroxysterols from Euphorbia fischeriana

Ficus erecta var. beecheyana

1 reference

New Prenylated Flavones from the Roots ofFicus Beecheyana

Gynura japonica

1 reference

Cerebrosides from the Rhizomes ofGynura Japonica

Houttuynia cordata

1 reference

Constituents ofHouttuyniae Cordataand the Crystal Structure of Vomifoliol

Joannesia princeps

1 reference

Joannesialactone and other compounds from Joannesia princeps

Leucas cephalotes

1 reference

Studies on Nepalese crude drugs. XXIX. Chemical constituents of Dronapuspi, the whole herb of Leucas cephalotes SPRENG.

Ligularia dolichobotrys

1 reference

Coniferyl and sinapyl alcohol derivatives from Ligularia duciformis

Lindera communis

1 reference

Cytotoxic butanolides from the stem bark of Formosan Lindera communis

Litsea acutivena

1 reference

Chemical Constituents from the Leaves ofLitsea Acutivena

Macaranga triloba

1 reference

Potential cancer chemopreventive constituents of the leaves of Macaranga triloba.

Melia azedarach

1 reference

Über einige Inhaltsstoffe der Früchte und Wurzel von Melia azedarach L.

Gynochthodes officinalis

1 reference

Chemical Constituents of Chinese Natural Medicine, Morindae Radix, the Dried Roots of Morinda officinalis How.: Structures of Morindolide and Morofficinaloside

Oryza sativa

1 reference

Bioactive steroids from Oryza sativa L.

Phaseolus vulgaris

1 reference

Phytosterols and Triterpenes in the Roots of the “Kidney Bean” (Phaseolus vulgarisL.)

Photinia lucida

1 reference

A new long-chain alkene and antituberculosis constituents from the leaves of Pourthiaea lucida

Salix cheilophila

1 reference

Acyclic Diterpene-γ-Lactones and Flavonoid fromSalix CheilophilaOmitted

Sambucus adnata

1 reference

Chemical constituents from Sambucus adnata and their protein-tyrosine phosphatase 1B inhibitory activities

Saussurea hieracioides

1 reference

Chemical constituents of Saussurea superba

Saussurea superba

1 reference

Chemical constituents of Saussurea superba

Scolopia spinosa

1 reference

Scoloposides A–E, a series of 2-glucopyranosyloxy-5-hydroxybenzyl alcohol derivatives from Scolopia spinosa

Swietenia macrophylla

1 reference

A new phragmalin-type limonoid and anti-inflammatory constituents from the fruits of Swietenia macrophylla

Zantedeschia aethiopica

1 reference

Antialgal compounds from zantedeschia aethiopica

Zanthoxylum beecheyanum

1 reference

Chemical and Antiplatelet Constituents from the Stem ofZanthoxylum Beecheyanum

Zanthoxylum dimorphophyllum

1 reference

Cytotoxic Constituents from the Stem Bark ofZanthoxylum Pistaciiflorum

Zanthoxylum simulans

1 reference

Chemical and anti-platelet constituents from Formosan Zanthoxylum simulans.

maize

1 reference

Chemical constituents of the style of Zea mays L. with glycation inhibitory activity

Solanum violaceum

1 reference

Spirostanoids with 1,4-dien-3-one or 3β,7α-diol-5,6-ene moieties from Solanum violaceum.

Goniophlebium niponicum

1 reference

The Chemical Constituents ofPolypodium Niponicum

Pourthiaea arguta

1 reference

A new long-chain alkene and antituberculosis constituents from the leaves of Pourthiaea lucida

Oxybasis rubra

1 reference

Oxidized phytosterols increase by ageing in photoautotrophic cell cultures of Chenopodium rubrum

Arum italicum

1 reference

Hydroperoxysterols inArum italicum

Identifiers

InChI

InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1

0 references

https://commonchemistry.cas.org/detail?cas_rn=2034-74-4

0 references

1 reference

7 April 2021

matched by identifier from

PubChem CID

160608

1 reference

ChEBI ID

177122

mapping relation type

exact match

2 references

matched by identifier from

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C29H48O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-25,27,30H,7-16H2,1-6H3/t19-,20-,22+,23-,24+,25+,27+,28+,29-/m1/s1

1 reference

1 reference

matched by identifier from