(Q105119392)

English

Lupeol 3-hydroxyoctadecanoate

group of stereoisomers with the chemical formula C₄₈H₈₄O₃

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Statements

group of stereoisomers

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1 reference

708.642046548 dalton

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based on heuristic

inferred from InChI

chemical formula

C₄₈H₈₄O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)C)CCC5(C)CCC43C)C1(C)C)CC(O)CCCCCCCCCCCCCCC

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Identifiers

InChI=1S/C48H84O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-36(49)34-42(50)51-41-28-30-46(7)39(44(41,4)5)27-31-48(9)40(46)25-24-38-43-37(35(2)3)26-29-45(43,6)32-33-47(38,48)8/h36-41,43,49H,2,10-34H2,1,3-9H3

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ISCGWWWBTBITFA-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ISCGWWWBTBITFA-UHFFFAOYSA-N

UniChem compound ID

1 reference

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