(Q105161409)

English

(3S,6aS,6bS,8aR,14bS)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-ol

group of stereoisomers with the chemical formula C₃₀H₅₀O

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Statements

group of stereoisomers

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multiflorane triterpenoid

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multiflorane triterpenoid

426.38616621999995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₅₀O

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canonical SMILES

OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CCC5(C)CCC(C)(C)CC5C4(C)CC3)C

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isomeric SMILES

CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)C2C1)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC4

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Identifiers

InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h22-24,31H,9-19H2,1-8H3/t22?,23?,24-,27+,28+,29+,30-/m0/s1

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MCSMMGJCXCBSKD-KTLHYBCNSA-N

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based on heuristic

inferred from InChIKey

matched by identifier from

MCSMMGJCXCBSKD-KTLHYBCNSA-N

UniChem compound ID

1 reference

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