(Q105124997)

English

(2Z,4E,6E,8E,10E)-3-hydroxy-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-19-(2,3,4-trimethylphenyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

group of stereoisomers with the chemical formula C₄₀H₅₂O₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

580.391645524 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₂O₃

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canonical SMILES

O=C(C=C(O)C(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=CC=C(C(=C1C)C)C)C)C)C)C)C2(C)CC(O)CC2(C)C

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isomeric SMILES

CC(C=Cc1ccc(C)c(C)c1C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O)=C/C(=O)C1(C)CC(O)CC1(C)C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H52O3/c1-28(17-13-18-30(3)21-23-35-24-22-31(4)33(6)34(35)7)15-11-12-16-29(2)19-14-20-32(5)37(42)25-38(43)40(10)27-36(41)26-39(40,8)9/h11-25,36,41-42H,26-27H2,1-10H3/b12-11+,17-13?,19-14+,23-21?,28-15?,29-16+,30-18?,32-20+,37-25-

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InChIKey

JCNLLLQYNIILBJ-ZLNSOLKJSA-N

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(Q105124997)

(2Z,4E,6E,8E,10E)-3-hydroxy-1-(4-hydroxy-1,2,2-trimethylcyclopentyl)-4,8,13,17-tetramethyl-19-(2,3,4-trimethylphenyl)nonadeca-2,4,6,8,10,12,14,16,18-nonaen-1-one

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