(Q104994656)

English

(9E,11E,13E,15Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-1-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-16-(hydroxymethyl)-3,7,12-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

group of stereoisomers with the chemical formula C₄₀H₅₆O₆

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Statements

instance of

group of stereoisomers

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1 reference

632.4076895119999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₆

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canonical SMILES

O=C(C(=CC=CC(=CC=CC=C(C=CC=C(C=C=C1C(O)(C)CC(O)CC1(C)C)CO)C)C)C)CC23OC3(C)CC(O)CC2(C)C

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isomeric SMILES

CC(C=CC=C(C)C(=O)CC12OC1(C)CC(O)CC2(C)C)=C/C=C/C=C(C)/C=C/C=C(/C=C=C1C(C)(C)CC(O)CC1(C)O)CO

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H56O6/c1-28(16-12-18-30(3)34(44)26-40-37(6,7)23-33(43)25-39(40,9)46-40)14-10-11-15-29(2)17-13-19-31(27-41)20-21-35-36(4,5)22-32(42)24-38(35,8)45/h10-20,32-33,41-43,45H,22-27H2,1-9H3/b11-10+,16-12?,17-13+,28-14?,29-15+,30-18?,31-19-

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InChIKey

FFSKZYCAMGRBHN-FQMSQUFJSA-N

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(Q104994656)

(9E,11E,13E,15Z)-18-(2,4-dihydroxy-2,6,6-trimethylcyclohexylidene)-1-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-16-(hydroxymethyl)-3,7,12-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

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