(Q105150589)

English

(3S,4R,5R,9R,10R,13R,14R,17R)-17-[(1S)-1-[(2R)-5,5-dimethyloxolan-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

17-[1-(5,5-dimethyloxolan-2-yl)ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

1 reference

based on heuristic

inferred from SMILES

mass

416.329045268 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₃

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canonical SMILES

OC1CCC2(C)C3C(=CCC2C1O)C4CCC(C(C)C5OC(C)(C)CC5)C4(C)CC3

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isomeric SMILES

C[C@H]([C@H]1CCC(C)(C)O1)[C@H]1CC[C@H]2C3=CC[C@H]4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

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found in taxon

Aglaia rubiginosa

1 reference

stated in

Phytochemical investigation of Aglaia rubiginosa

Identifiers

InChI

InChI=1S/C27H44O3/c1-16(23-12-13-25(2,3)30-23)18-8-9-19-17-6-7-21-24(29)22(28)11-15-27(21,5)20(17)10-14-26(18,19)4/h6,16,18-24,28-29H,7-15H2,1-5H3/t16-,18+,19-,20-,21-,22-,23+,24+,26+,27+/m0/s1

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InChIKey

LEHROQSPPGZPJK-YYYYOOOKSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

LEHROQSPPGZPJK-YYYYOOOKSA-N

1 reference

(Q105150589)

(3S,4R,5R,9R,10R,13R,14R,17R)-17-[(1S)-1-[(2R)-5,5-dimethyloxolan-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol

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Identifiers

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