Rubrorotiorin

CAS Registry Number®

28763-04-4
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CAS Name

Rubrorotiorin

Molecular Formula

C23H23ClO5

Molecular Mass

414.88

Cite this Page

Rubrorotiorin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28763-04-4 (retrieved 2024-09-19) (CAS RN: 28763-04-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C23H23ClO5/c1-6-12(2)9-13(3)7-8-15-10-16-17(11-28-15)19-18(14(4)25)22(27)29-23(19,5)21(26)20(16)24/h7-12H,6H2,1-5H3/b8-7+,13-9+/t12-,23-/m0/s1

InChIKey

InChIKey=QJSWSNAZIVGTFZ-NPQXMUAYSA-N

SMILES

C[C@]12C(C=3C(=C(Cl)C1=O)C=C(/C=C/C(=C/[C@H](CC)C)/C)OC3)=C(C(C)=O)C(=O)O2

Canonical SMILES

O=C1OC2(C(=O)C(Cl)=C3C=C(OC=C3C2=C1C(=O)C)C=CC(=CC(C)CC)C)C

Other Names for this Substance

  • 6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-6a-methyl-, (6aS)-
  • 6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9-acetyl-5-chloro-3-(3,5-dimethyl-1,3-heptadienyl)-6a-methyl-, [S-[R*,R*-(E,E)]]-
  • 6H-Furo[2,3-h]-2-benzopyran-6,8(6aH)-dione, 9-acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadienyl]-6a-methyl-, (6aS)-
  • (6aS)-9-Acetyl-5-chloro-3-[(1E,3E,5S)-3,5-dimethyl-1,3-heptadien-1-yl]-6a-methyl-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
  • Rubrorotiorin

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Deleted or Replaced CAS Registry Numbers

167173-92-4