(Q105130337)

English

(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

group of stereoisomers with the chemical formula C₄₀H₅₄O₃

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instance of

group of stereoisomers

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1 reference

582.407295588 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₀H₅₄O₃

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canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2C(=CC(O)CC2(C)C)C)C)C)C)C)C(C)(C)CC1O)C

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isomeric SMILES

CC1=C[C@H](O)CC(C)(C)C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C

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Identifiers

InChI

InChI=1S/C40H54O3/c1-28(17-13-19-30(3)21-23-35-32(5)25-34(41)26-39(35,7)8)15-11-12-16-29(2)18-14-20-31(4)22-24-36-33(6)38(43)37(42)27-40(36,9)10/h11-25,34-35,37,41-42H,26-27H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,28-15+,29-16+,30-19+,31-20+/t34-,35?,37-/m0/s1

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InChIKey

JKMGDISLOMKFOX-REGUREBTSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

JKMGDISLOMKFOX-REGUREBTSA-N

1 reference

(Q105130337)

(6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one

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