(Q105103202)

English

[(3S,12R,14R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (Z)-3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₃₀H₄₀O₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

512.27740362 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₀O₇

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canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(O)CCC32C)C4(O)CCC(O)(C(O)C)C14C)C=CC=5C=CC=CC5

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isomeric SMILES

CC(O)C1(O)CC[C@]2(O)C3(O)CC=C4C[C@@H](O)CCC4(C)C3C[C@@H](OC(=O)/C=C\c3ccccc3)C12C

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found in taxon

Gymnema

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stated in

Pregnane Glycosides fromGymnema alternifolium

Identifiers

InChI

InChI=1S/C30H40O7/c1-19(31)28(34)15-16-30(36)27(28,3)24(37-25(33)10-9-20-7-5-4-6-8-20)18-23-26(2)13-12-22(32)17-21(26)11-14-29(23,30)35/h4-11,19,22-24,31-32,34-36H,12-18H2,1-3H3/b10-9-/t19?,22-,23?,24+,26?,27?,28?,29?,30+/m0/s1

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InChIKey

CSSZPOBBUXFMAA-ZYUAQAFDSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

CSSZPOBBUXFMAA-ZYUAQAFDSA-N

1 reference

(Q105103202)

[(3S,12R,14R)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] (Z)-3-phenylprop-2-enoate

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Identifiers

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