(Q105115148)

English

(8-Hydroxy-4,4,6a,6b,8a,12,14b-heptamethyl-11-methylidene-1,2,3,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-hexadecahydropicen-3-yl) octadecanoate

group of stereoisomers with the chemical formula C₄₈H₈₄O₃

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Statements

group of stereoisomers

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taraxastane / ursane triterpenoid

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taraxastane / ursane triterpenoid

709.1806 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₈H₈₄O₃

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)CCC5(C)C(O)CC43C)C)C1(C)C)CCCCCCCCCCCCCCCCC

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Identifiers

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

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ILEJGXYCUBBGRT-UHFFFAOYSA-N

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1 reference

based on heuristic

inferred from InChIKey

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