(Q105187335)

English

(4aS,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,8a,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

10-Hydroxy-2,2,6a,8a,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

456.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C(CCC5(C)C(C)(C)C(O)CCC45C)C3(C)CC1

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@H]3CC[C@@]3(C)C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1

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found in taxon

Withania adpressa

1 reference

stated in

Withanolides fromWithania adpressa

Identifiers

InChI

InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-27(5)19(22(30)18-25)8-9-21-20(27)10-13-29(7)26(3,4)23(31)11-12-28(21,29)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21+,22+,23+,27-,28-,29+,30+/m1/s1

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InChIKey

NXUIECKXZNMPEY-VOHVAKFRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NXUIECKXZNMPEY-VOHVAKFRSA-N

(Q105187335)

(4aS,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,8a,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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