(Q105322907)

English

(3aR,3bR,5aR,7S,9aR,9bR)-3a,3b,6,6,9a-pentamethyl-1-(6-methylhepta-1,5-dien-2-yl)-dodecahydro-1H-cyclopenta[a]phenanthren-7-ol

group of stereoisomers with the chemical formula C₃₀H₅₀O

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Statements

group of stereoisomers

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protostane/dammarane triterpenoid

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protostane/dammarane 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(C)C(CCC3(C)C2CCC4C(C(=C)CCC=C(C)C)CCC43C)C1(C)C

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isomeric SMILES

C=C(CCC=C(C)C)C1CC[C@]2(C)C1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C

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Identifiers

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-29(7)23(22)12-13-25-28(6)17-16-26(31)27(4,5)24(28)15-19-30(25,29)8/h10,22-26,31H,3,9,11-19H2,1-2,4-8H3/t22?,23?,24-,25+,26-,28-,29+,30+/m0/s1

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WZAMDSBJONFHAO-DCPLFXNYSA-N

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based on heuristic

inferred from InChIKey

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

WZAMDSBJONFHAO-DCPLFXNYSA-N

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