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2,2'-{benzene-1,4-diylbis[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methanediyl]}bis(5,5-dimethylcyclohexane-1,3-dione)

Catalog ID
STK004322
SMILES O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C40H50O8 MW 658.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H50O8/c1-37(2)13-23(41)33(24(42)14-37)31(34-25(43)15-38(3,4)16-26(34)44)21-9-11-22(12-10-21)32(35-27(45)17-39(5,6)18-28(35)46)36-29(47)19-40(7,8)20-30(36)48/h9-12,31-33,35,43,47H,13-20H2,1-8H3
InChIKey
PFHKMSDXCFSBJS-UHFFFAOYSA-N
Synonyms

2((4((44DIMETHYL26DIOXOCYCLOHEXYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)PHENYL)(2HYDROXY44DIMETHYL6OXOCYCLOHEXEN1YL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
2((4((44DIMETHYL26DIOXOCYCLOHEXYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)PHENYL)(6HYDROXY44DIMETHYL2OXOCYCLOHEX1(6)ENYL)METHYL)55DIMETHYLCYCLOHEXANE13DIONE
22(BENZENE14DIYLBIS((2HYDROXY44DIMETHYL6OXOCYCLOHEX1EN1YL)METHANEDIYL))BIS(55DIMETHYLCYCLOHEXANE13DIONE)
CC1(CC(=O)C(C(=O)C1)C(C2=CC=C(C=C2)C(C3C(=O)CC(CC3=O)(C)C)C4=C(CC(CC4=O)(C)C)O)C5=C(CC(CC5=O)(C)C)O)C
InChI=1SC40H50O8c137(2)1323(41)33(24(42)1437)31(3425(43)1538(34)1626(34)44)2191122(121021)32(3527(45)1739(56)1828(35)46)3629(47)1940(78)2030(36)48h9123133354347H1320H218H3
MFCD01030179
O=C1CC(C)(C)CC(=O)C1C(C1=C(O)CC(CC1=O)(C)C)c1ccc(cc1)C(C1=C(O)CC(CC1=O)(C)C)C1C(=O)CC(CC1=O)(C)C
STK004322
ZINC000150339558
ZINC000150339561

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Available files

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