(Q105212201)

English

2-({4-[(11Z,13Z,15Z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₆H₆₆O₆

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instance of

group of stereoisomers

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1 reference

714.485939832 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₆H₆₆O₆

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canonical SMILES

OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CC(OC3OC(C)C(O)C(O)C3O)CC2(C)C)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC(C=CC=C(C)C=CC1=C(C)CC(OC2OC(C)C(O)C(O)C2O)CC1(C)C)=CC=C/C=C(C)\C=C/C=C(/C)C=CC1=C(C)CC(O)CC1(C)C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C46H66O6/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(47)28-45(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(29-46(40,10)11)52-44-43(50)42(49)41(48)36(7)51-44/h12-25,36-38,41-44,47-50H,26-29H2,1-11H3/b13-12?,18-14-,19-15?,24-22?,25-23?,30-16-,31-17?,32-20-,33-21?

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InChIKey

PNUMJYSPLIEPOC-HZFXCQEZSA-N

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(Q105212201)

2-({4-[(11Z,13Z,15Z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol

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