(Q105109964)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₆O₅

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

486.3345245719999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₅

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canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CC(=O)C(O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)C5CC[C@]43C)C2[C@]1(C)O

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Identifiers

InChI

InChI=1S/C30H46O5/c1-17-10-13-30(24(33)34)15-14-27(5)18(22(30)29(17,7)35)8-9-21-26(4)16-19(31)23(32)25(2,3)20(26)11-12-28(21,27)6/h8,17,20-23,32,35H,9-16H2,1-7H3,(H,33,34)/t17-,20?,21?,22?,23+,26+,27-,28-,29-,30+/m1/s1

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InChIKey

HQZKQSIAHGHXDL-OFVOJBJZSA-N

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PubChem CID

470711

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HQZKQSIAHGHXDL-OFVOJBJZSA-N

1 reference

(Q105109964)

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

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