Rottlerin

CAS Registry Number®

82-08-6
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CAS Name

Rottlerin

Molecular Formula

C30H28O8

Molecular Mass

516.54

Cite this Page

Rottlerin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82-08-6 (retrieved 2024-04-24) (CAS RN: 82-08-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+

InChIKey

InChIKey=DEZFNHCVIZBHBI-ZHACJKMWSA-N

SMILES

C(/C=C/C1=CC=CC=C1)(=O)C2=C3C(=C(O)C(CC4=C(O)C(C(C)=O)=C(O)C(C)=C4O)=C2O)C=CC(C)(C)O3

Canonical SMILES

O=C(C=CC=1C=CC=CC1)C2=C(O)C(=C(O)C=3C=CC(OC32)(C)C)CC=4C(O)=C(C(=O)C)C(O)=C(C4O)C

Other Names for this Substance

  • 2-Propen-1-one, 1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-3-phenyl-, (2E)-
  • Rottlerin
  • Acetophenone, 3′-[(8-cinnamoyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl]-2′,4′,6′-trihydroxy-5′-methyl-
  • 2-Propen-1-one, 1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-3-phenyl-, (E)-
  • (2E)-1-[6-[(3-Acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl]-3-phenyl-2-propen-1-one

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Deleted or Replaced CAS Registry Numbers

1402-21-7

CAS INSIGHTSTM
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