(Q105386506)

English

(2S,3R,10R,13R,17S)-2,3-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-one

group of stereoisomers with the chemical formula C₂₇H₄₂O₆

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instance of

group of stereoisomers

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1 reference

462.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₂O₆

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canonical SMILES

O=C1C=C2C3=CCC(C(O)(C)C(O)CCC(O)(C)C)C3(C)CCC2C4(C)CC(O)C(O)CC14

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isomeric SMILES

CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC=C2C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@@]21C

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found in taxon

Vitex polygama

1 reference

stated in

Enzymatic inhibitory activity and trypanocidal effects of extracts and compounds from Siphoneugena densiflora O. Berg and Vitex polygama Cham

Identifiers

InChI

InChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,12,17-18,20-23,29-33H,7-11,13-14H2,1-5H3/t17?,18?,20-,21+,22+,23-,25+,26-,27-/m1/s1

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InChIKey

ZYXLMHXQZHELAP-XQIKHSEISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZYXLMHXQZHELAP-XQIKHSEISA-N

(Q105386506)

(2S,3R,10R,13R,17S)-2,3-dihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-1,2,3,4,5,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-6-one

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Identifiers

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