(Q104923579)

English

(2S)-4-[(3S,5S,10S,13S,14R,16R,17S)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-[(2S,3R)-2,3-dihydroxy-4-methylpentan-3-yl]-2H-furan-5-one

chemical compound

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instance of

type of chemical entity

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subclass of

4-(3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-(2,3-dihydroxy-4-methylpentan-3-yl)-2H-furan-5-one

1 reference

based on heuristic

inferred from SMILES

mass

486.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₂O₆

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canonical SMILES

O=C1OC(C=C1C2C(O)CC3C4=CCC5CC(O)CCC5(C4=CCC32C)C)C(O)(C(O)C)C(C)C

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isomeric SMILES

CC(C)[C@@](O)([C@H](C)O)[C@@H]1C=C([C@H]2[C@H](O)C[C@H]3C4=CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)C(=O)O1

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found in taxon

Gymnanthemum amygdalinum

1 reference

stated in

Steroid glucosides from vernonia amygdalina, a possible chimpanzee medicinal plant

Identifiers

InChI

InChI=1S/C29H42O6/c1-15(2)29(34,16(3)30)24-13-20(26(33)35-24)25-23(32)14-22-19-7-6-17-12-18(31)8-10-27(17,4)21(19)9-11-28(22,25)5/h7,9,13,15-18,22-25,30-32,34H,6,8,10-12,14H2,1-5H3/t16-,17-,18-,22-,23+,24-,25-,27-,28-,29+/m0/s1

0 references

InChIKey

BCQKZVCGNCPRHW-FALXEMSZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BCQKZVCGNCPRHW-FALXEMSZSA-N

(Q104923579)

(2S)-4-[(3S,5S,10S,13S,14R,16R,17S)-3,16-dihydroxy-10,13-dimethyl-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-[(2S,3R)-2,3-dihydroxy-4-methylpentan-3-yl]-2H-furan-5-one

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