(Q105306041)

English

(2R,4aS,6aS,6aR,6bS,8aS,12aS,14aS,14bS)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid

group of stereoisomers with the chemical formula C₃₀H₄₈O₃

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Statements

instance of

group of stereoisomers

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subclass of

friedelane triterpenoid

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inferred from

friedelane triterpenoid

mass

456.36034539599996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C)C4CCC5(C)C(C(=O)CCC5C4(C)CCC3(C)C2C1)C

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isomeric SMILES

CC1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]12C

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Identifiers

InChI

InChI=1S/C30H48O3/c1-19-20(31)8-9-21-27(19,4)11-10-22-28(21,5)15-17-30(7)23-18-26(3,24(32)33)13-12-25(23,2)14-16-29(22,30)6/h19,21-23H,8-18H2,1-7H3,(H,32,33)/t19?,21-,22+,23+,25-,26-,27-,28+,29-,30+/m1/s1

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InChIKey

WHWHDGKOSUKYOV-VTBMMCMNSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

WHWHDGKOSUKYOV-VTBMMCMNSA-N

1 reference

(Q105306041)

(2R,4aS,6aS,6aR,6bS,8aS,12aS,14aS,14bS)-2,4a,6a,6a,8a,9,14a-heptamethyl-10-oxo-3,4,5,6,6b,7,8,9,11,12,12a,13,14,14b-tetradecahydro-1H-picene-2-carboxylic acid

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