(Q105324502)

English

[11-(Acetyloxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl] benzoate

group of stereoisomers with the chemical formula C₃₉H₅₄O₄

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Statements

group of stereoisomers

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multiflorane triterpenoid

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multiflorane triterpenoid

586.402210208 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₅₄O₄

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canonical SMILES

O=C(OC1CCC2(C3=CCC4(C)C5CC(C)(COC(=O)C)CCC5(C)CCC4(C3=CCC2C1(C)C)C)C)C=6C=CC=CC6

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Identifiers

InChI=1S/C39H54O4/c1-26(40)42-25-35(4)20-21-36(5)22-23-38(7)29-14-15-30-34(2,3)32(43-33(41)27-12-10-9-11-13-27)17-18-37(30,6)28(29)16-19-39(38,8)31(36)24-35/h9-14,16,30-32H,15,17-25H2,1-8H3

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XBIKYLMDDMKTMM-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

XBIKYLMDDMKTMM-UHFFFAOYSA-N

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