(Q105289608)

English

(3S,4S,6aR,8aS,12aR,14bR)-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,12,12a,14,14a-dodecahydropicen-3-ol

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 isomeric SMILES

chemical formula

C₃₀H₄₈O₂

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canonical SMILES

OCC1(C)C(O)CCC2(C)C3CC=C4C5CC(C=CC5(C)CCC4(C)C3(C)CCC12)(C)C

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isomeric SMILES

CC1(C)C=C[C@]2(C)CCC3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(CO)C5CC[C@]43C)[C@@H]2C1

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Identifiers

InChI=1S/C30H48O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,14-15,21-24,31-32H,9-13,16-19H2,1-7H3/t21-,22?,23?,24-,26+,27-,28+,29?,30+/m0/s1

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VNGUCOGHCJHFID-VVNQFAMDSA-N

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based on heuristic

inferred from InChIKey

matched by identifier from

VNGUCOGHCJHFID-VVNQFAMDSA-N

UniChem compound ID

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