(Q104946347)

English

(2S,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-2,3,4-triol

chemical compound

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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-2,3,4-triol

1 reference

based on heuristic

inferred from SMILES

mass

432.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₄O₄

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canonical SMILES

OC1CC2(C)C3C(=CCC2C(O)C1O)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)[C@@H](O)C[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/C27H44O4/c1-15(22-11-12-25(2,3)31-22)17-8-9-18-16-6-7-20-23(29)24(30)21(28)14-27(20,5)19(16)10-13-26(17,18)4/h6,15,17-24,28-30H,7-14H2,1-5H3/t15-,17+,18-,19-,20-,21-,22+,23+,24-,26+,27+/m0/s1

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InChIKey

BUVHRWDQSRIJGY-XNZCEKOMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BUVHRWDQSRIJGY-XNZCEKOMSA-N

1 reference

(Q104946347)

(2S,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-2,3,4-triol

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