(Q105169400)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₆O₄

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

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inferred from

oleanane triterpenoid

mass

470.33960995199993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₄

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canonical SMILES

O=C(O)C1(C)CCC2(C)CCC3(C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C

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isomeric SMILES

CC1(C)C(O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C

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Identifiers

InChI

InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22?,23+,26+,27+,28-,29+,30+/m0/s1

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InChIKey

MPDGHEJMBKOTSU-JNYFVOPZSA-N

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PubChem CID

17751012

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

MPDGHEJMBKOTSU-JNYFVOPZSA-N

1 reference

(Q105169400)

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

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Identifiers

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