(Q105146931)

English

(4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl) icosanoate

group of stereoisomers with the chemical formula C₅₀H₈₈O₂

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

720.678432056 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₅₀H₈₈O₂

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canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C1(C)C)CCCCCCCCCCCCCCCCCCC

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Identifiers

InChI=1S/C50H88O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-44(51)52-43-31-32-48(7)41(46(43,4)5)30-33-50(9)42(48)29-28-39-40-38-45(2,3)34-35-47(40,6)36-37-49(39,50)8/h28,40-43H,10-27,29-38H2,1-9H3

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KWGUACFRAIZODN-UHFFFAOYSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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