(Q105170364)

English

lupeol

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Statements

group of stereoisomers

0 references

1 reference

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)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@]2(C)CCC3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

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Identifiers

InChI=1S/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21+,22-,23+,24-,25+,27+,28-,29?,30+/m0/s1

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MQYXUWHLBZFQQO-JGGBMTAGSA-N

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1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

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Probes And Drugs ID

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