(Q105220477)

English

(3S,4R,6aR,6bS,8R,14bS)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicene-3,8-diol

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

472.35526001599993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

OCC12C(=C3C=CC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC1O)CC(C)(C)CC2

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isomeric SMILES

CC1(C)CCC2(CO)C(=C3C=CC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)C[C@H]2O)C1

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Identifiers

InChI=1S/C30H48O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7-8,21-24,31-34H,9-18H2,1-6H3/t21?,22?,23-,24+,26-,27-,28+,29+,30?/m0/s1

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QGNVMEXLLPGQEV-XNMRURFASA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QGNVMEXLLPGQEV-XNMRURFASA-N

UniChem compound ID

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