CID 14021529 (Q105010210)

(5R,9R,10R,13S,14S)-17-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

inferred from SMILES

1 reference

inferred from SMILES

mass

456.360345396 dalton

1 reference

(5R,9S,10R,13S,14S,17S)-17-[(2S,4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

inferred from SMILES

stereoisomer of

2 references

(5S,9R,10R,13S,14S,17S)-17-[(2S,4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

2 references

(5R,9R,10R,13S,14S,17S)-17-[(2S,4S)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

2 references

(5R,9S,10R,13S,14S,17S)-17-[(2R,4R)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

(5S,9R,10R,13S,14S,17S)-17-[(2S,4S)-4-[(2S)-3,3-dimethyloxiran-2-yl]-4-hydroxybutan-2-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

1 reference

chemical formula

C₃₀H₄₈O₃

0 references

canonical SMILES

O=C1CCC2(C)C3C(=CCC2C1(C)C)C4(C)CCC(C(C)CC(O)C5OC5(C)C)C4(C)CC3

0 references

isomeric SMILES

C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C

0 references

found in taxon

Aglaia leucophylla

1 reference

Tirucallane triterpenes from the stem bark of Aglaia leucophylla

Castela polyandra

1 reference

Quassinoids from the twigs and thorns of Castela polyandra

Dysoxylum variabile

1 reference

New tirucallane-type triterpenes from Dysoxylum variabile

Cedrela fissilis

1 reference

Trypanocidal activity of limonoids and triterpenes from Cedrela fissilis.

Aglaia rubiginosa

1 reference

Dammarenolic acid, a secodammarane triterpenoid from Aglaia sp. shows potent anti-retroviral activity in vitro

Luvunga sarmentosa

1 reference

Apotirucallane triterpenoids from Luvunga sarmentosa (Rutaceae).

Toona ciliata

1 reference

Protolimonoids and norlimonoids from the stem bark of Toona ciliata var. pubescens

Boronia alata

1 reference

Boronialatenolide: a Novel Pentanortriterpene From the Aerial Parts of Boronia alata (Rutaceae)

Boronia inornata

1 reference

Terpenoids, alkaloids and coumarins from Boronia inornata and Boronia gracilipes

Dysoxylum beddomei

1 reference

Beddomeilactone: a new triterpene from Dysoxylum beddomei

Eurycoma longifolia

1 reference

Cytotoxic Quassinoids and Tirucallane-Type Triterpenes from the Woods of Eurycoma longifolia.

Phellodendron amurense

1 reference

Limonoids and protolimonoids from the fruits of Phellodendron amurense

Phellodendron chinense

2 references

New protolimonoids from the fruits of Phellodendron chinense

Triterpenoids from the fruits of Phellodendron chinense Schneid. The stereostructure of niloticin.

Trichilia schomburgkii

2 references

Constituents of Trichilia schomburgkii

Pregnane Steroids from Trichilia schomburgkii

Turraea nilotica

1 reference

Protolimonoids from Turraea nilotica

Identifiers

InChI

InChI=1S/C30H48O3/c1-18(17-22(31)25-27(4,5)33-25)19-11-15-30(8)21-9-10-23-26(2,3)24(32)13-14-28(23,6)20(21)12-16-29(19,30)7/h9,18-20,22-23,25,31H,10-17H2,1-8H3/t18-,19-,20-,22+,23-,25-,28+,29-,30+/m0/s1

0 references

InChIKey

GKQMMZUXYRXFOH-QBLSGNHRSA-N

0 references

CAS Registry Number

115404-57-4

1 reference

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022