(Q104913229)

English

(4E,6E,8E,10E,12E,14E)-2-{2-[4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]ethenyl}-17-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaen-1-yl hexanoate

group of stereoisomers with the chemical formula C₄₈H₆₈O₈

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instance of

group of stereoisomers

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1 reference

772.491419136 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₈H₆₈O₈

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canonical SMILES

O=C(OC1CC(O)(C(=C=CC(=CC=CC(=CC=CC=C(C=CC=C(C(=O)CC23OC3(C)CC(O)CC2(C)C)C)C)C)COC(=O)CCCCC)C(C)(C)C1)C)C

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isomeric SMILES

CCCCCC(=O)OCC(C=C=C1C(C)(C)CC(OC(C)=O)CC1(C)O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)CC12OC1(C)CC(O)CC2(C)C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C48H68O8/c1-12-13-14-25-43(52)54-33-38(26-27-42-44(6,7)30-40(55-37(5)49)31-46(42,10)53)24-18-22-35(3)20-16-15-19-34(2)21-17-23-36(4)41(51)32-48-45(8,9)28-39(50)29-47(48,11)56-48/h15-24,26,39-40,50,53H,12-14,25,28-33H2,1-11H3/b16-15+,21-17+,22-18+,34-19+,35-20+,36-23+,38-24?

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InChIKey

AJKIHQWOELANGE-ZDVPTHCVSA-N

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(Q104913229)

(4E,6E,8E,10E,12E,14E)-2-{2-[4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]ethenyl}-17-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-6,11,15-trimethyl-16-oxoheptadeca-2,4,6,8,10,12,14-heptaen-1-yl hexanoate

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