(Q105174017)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₈O₂

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

440.365430776 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCCC(C)(C)C5CCC4(C)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@@]5(C)CCCC(C)(C)C5CC[C@]43C)[C@@H]2C1

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Trichodesma africanum

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Chemical and toxicity studies of Trichodesma africanum L.

Identifiers

InChI=1S/C30H48O2/c1-25(2)15-17-30(24(31)32)18-16-28(6)20(21(30)19-25)9-10-23-27(5)13-8-12-26(3,4)22(27)11-14-29(23,28)7/h9,21-23H,8,10-19H2,1-7H3,(H,31,32)/t21-,22?,23+,27-,28+,29+,30-/m0/s1

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MXEMKMNFLXVQBW-BVYPSZNASA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

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