kadlongilactone A (Q27134649)

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chemical compound

Language	Label	Description	Also known as
English	kadlongilactone A	chemical compound

Statements

type of chemical entity

0 references

13,26-Dihydroxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-9,11,16(25),19-tetraene-8,21-dione

1 reference

based on heuristic

inferred from InChIKey

494.267±0 dalton

1 reference

language of work or name

kadlongilactone A (English)

7 October 2016

stereoisomer of

(1R,2S,5R,13R,15R,18S,23S,24S,26R)-13,26-dihydroxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-9,11,16(25),19-tetraene-8,21-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,2S,5R,13S,15R,18S,23R,24S,26S)-13,26-dihydroxy-1,6,6,20,24-pentamethyl-7,22-dioxahexacyclo[13.12.0.02,13.05,11.016,25.018,23]heptacosa-9,11,16(25),19-tetraene-8,21-dione

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₈O₆

1 reference

language of work or name

kadlongilactone A (English)

7 October 2016

canonical SMILES

CC1C2C(CC3=C1C(CC4(C3CC5(C4CCC6C(=C5)C=CC(=O)OC6(C)C)O)C)O)C=C(C(=O)O2)C

1 reference

language of work or name

kadlongilactone A (English)

7 October 2016

isomeric SMILES

C[C@@H]1[C@H]2[C@@H](CC3=C1[C@@H](C[C@@]4([C@H]3C[C@]5([C@H]4CC[C@@H]6C(=C5)C=CC(=O)OC6(C)C)O)C)O)C=C(C(=O)O2)C

1 reference

language of work or name

kadlongilactone A (English)

7 October 2016

Kadsura longepedunculata

2 references

Kadlongilactones A and B, two novel triterpene dilactones from Kadsura longipedunculata possessing a unique skeleton

Isolation and structure elucidation of kadlongilactones C-F from Kadsura longipedunculata by NMR spectroscopy and DFT computational methods

Kadsura coccinea

1 reference

Kadcoccilactones K–R, triterpenoids from Kadsura coccinea

Identifiers

InChI=1S/C30H38O6/c1-15-10-18-11-19-21-13-30(34)12-17-6-9-24(32)36-28(3,4)20(17)7-8-23(30)29(21,5)14-22(31)25(19)16(2)26(18)35-27(15)33/h6,9-10,12,16,18,20-23,26,31,34H,7-8,11,13-14H2,1-5H3/t16-,18+,20+,21-,22+,23-,26-,29+,30+/m0/s1

1 reference

language of work or name

kadlongilactone A (English)

7 October 2016

JDOHERDAOGEJFF-ASWXAAPUSA-N

2 references

language of work or name

kadlongilactone A (English)

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

3H-pyrano[2'',3'':6',7']naphth[2',1':1,2]azuleno[6,5-c]oxepin-3,12(4aH)-dione, 5,6,7,7a,7b,8,9,9a,10,15a,16,16a,17,17a-tetradecahydro-6,15a-dihydroxy-2,5,7a,10,10-pentamethyl-, (4aR,5S,6R,7aR,7bS,9aR, (English)

7 October 2016

2 references

language of work or name

kadlongilactone A (English)

7 October 2016

matched by identifier from

JDOHERDAOGEJFF-ASWXAAPUSA-N

Reaxys registry number

10223031

1 reference

language of work or name

kadlongilactone A (English)

7 October 2016

mapping relation type

2 references

language of work or name

kadlongilactone A (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C30H38O6/c1-15-10-18-11-19-21-13-30(34)12-17-6-9-24(32)36-28(3,4)20(17)7-8-23(30)29(21,5)14-22(31)25(19)16(2)26(18)35-27(15)33/h6,9-10,12,16,18,20-23,26,31,34H,7-8,11,13-14H2,1-5H3/t16-,18+,20+,21-,22+,23-,26-,29+,30+/m0/s1

1 reference

language of work or name

KADLONGILACTONE A (English)

7 October 2016

UniChem compound ID

1 reference

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