(Q105342375)

English

4-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15-heptaen-17-yn-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

group of stereoisomers with the chemical formula C₄₀H₅₂O₄

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instance of

group of stereoisomers

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1 reference

596.3865601439999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₂O₄

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canonical SMILES

O=C1C=C(C)C(O)(CC(=O)C(=CC=CC(=CC=CC=C(C=CC=C(C#CC2=C(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1

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isomeric SMILES

CC1=CC(=O)CC(C)(C)C1(O)CC(=O)/C(C)=C/C=C/C(C)=C/C=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/C40H52O4/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)25-38(36,7)8)15-11-12-16-29(2)19-14-20-31(4)37(43)27-40(44)33(6)24-35(42)26-39(40,9)10/h11-20,24,34,41,44H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+

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InChIKey

XUKJTNSSWNXSQU-XFULSKPLSA-N

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PubChem CID

6440922

1 reference

matched by identifier from

InChIKey

XUKJTNSSWNXSQU-XFULSKPLSA-N

(Q105342375)

4-hydroxy-4-[(3E,5E,7E,9E,11E,13E,15E)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15-heptaen-17-yn-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one

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