Columbianadin

CAS Registry Number®

5058-13-9

CAS Name

Columbianadin

Molecular Formula

C19H20O5

Molecular Mass

328.36

Cite this Page

Columbianadin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5058-13-9 (retrieved 2024-11-23) (CAS RN: 5058-13-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    118-119 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H20O5/c1-5-11(2)18(21)24-19(3,4)15-10-13-14(22-15)8-6-12-7-9-16(20)23-17(12)13/h5-9,15H,10H2,1-4H3/b11-5-/t15-/m0/s1

InChIKey

InChIKey=JRIBPWOXWIRQOQ-GHAIFCDISA-N

SMILES

[C@@](OC(/C(=C\C)/C)=O)(C)(C)[C@@H]1CC=2C3=C(C=CC2O1)C=CC(=O)O3

Canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC(CC32)C(OC(=O)C(=CC)C)(C)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, 1-[(8S)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester, (2Z)-
  • Columbianadin
  • Crotonic acid, 2-methyl-, ester with 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one, (Z)-(S)-
  • 2-Butenoic acid, 2-methyl-, 1-(8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl)-1-methylethyl ester, [S-(Z)]-
  • 2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-8-(1-hydroxy-1-methylethyl)-, 2-methylcrotonate, (Z)-(S)-

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Deleted or Replaced CAS Registry Numbers

20582-57-4, 21973-36-4

CAS INSIGHTSTM
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