(Q104964971)

English

1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-7-oxabicyclo[4.1.0]heptan-3-ol

group of stereoisomers with the chemical formula C₄₀H₅₆O₂

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instance of

group of stereoisomers

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568.428031032 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₂

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canonical SMILES

OC1CC2(OC2(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC3=C(C)CCCC3(C)C)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C12OC1(C)CC(O)CC2(C)C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13?,19-14+,24-23?,27-25+,30-16?,31-17+,32-20?,33-21+

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InChIKey

CMOLUFWHADIFGS-QAYDJRNMSA-N

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(Q104964971)

1,5,5-trimethyl-6-[(1E,3E,5E,7E,9E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-1-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-7-oxabicyclo[4.1.0]heptan-3-ol

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