2-[3-[(1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

CAS Registry Number®

88524-66-7
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CAS Name

2-[3-[(1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one

Molecular Formula

C40H36O11

Molecular Mass

692.71

Cite this Page

2-[3-[(1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88524-66-7 (retrieved 2024-09-21) (CAS RN: 88524-66-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H36O11/c1-18(2)4-7-25-39(50)36-32(47)16-22(43)17-33(36)51-40(25)26-10-11-29(44)35(38(26)49)28-13-19(3)12-27(23-8-5-20(41)14-30(23)45)34(28)37(48)24-9-6-21(42)15-31(24)46/h4-6,8-11,13-17,27-28,34,41-47,49H,7,12H2,1-3H3/t27-,28-,34-/m0/s1

InChIKey

InChIKey=FEAIYAOTVUYWQZ-AIQWNVMPSA-N

SMILES

C(=O)([C@@H]1[C@H](C=C(C)C[C@H]1C2=C(O)C=C(O)C=C2)C3=C(O)C(=CC=C3O)C4=C(CC=C(C)C)C(=O)C=5C(O4)=CC(O)=CC5O)C6=C(O)C=C(O)C=C6

Canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC(C=3C=CC(O)=C(C3O)C4C=C(C)CC(C5=CC=C(O)C=C5O)C4C(=O)C6=CC=C(O)C=C6O)=C1CC=C(C)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-
  • 4H-1-Benzopyran-4-one, 2-[3-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, [1S-(1α,5α,6β)]-
  • 4H-1-Benzopyran-4-one, 2-[3-[(1S,5R,6S)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methyl-2-butenyl)-
  • 2-[3-[(1S,5R,6S)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
  • (-)-Kuwanon K

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