8-Hydroxy-4-methyl-3-[(1S)-1-methylpropyl]-6-oxo-6H-2-benzopyran-7-carboxylic acid

CAS Registry Number®

3615-05-2

CAS Name

8-Hydroxy-4-methyl-3-[(1S)-1-methylpropyl]-6-oxo-6H-2-benzopyran-7-carboxylic acid

Molecular Formula

C15H16O5

Molecular Mass

276.28

Cite this Page

8-Hydroxy-4-methyl-3-[(1S)-1-methylpropyl]-6-oxo-6H-2-benzopyran-7-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3615-05-2 (retrieved 2024-11-21) (CAS RN: 3615-05-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-198 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H16O5/c1-4-7(2)14-8(3)9-5-11(16)12(15(18)19)13(17)10(9)6-20-14/h5-7,17H,4H2,1-3H3,(H,18,19)/t7-/m0/s1

InChIKey

InChIKey=DZBCEUTUWOWUDY-ZETCQYMHSA-N

SMILES

OC=1C=2C(C(C)=C([C@H](CC)C)OC2)=CC(=O)C1C(O)=O

Canonical SMILES

O=C(O)C=1C(=O)C=C2C(=COC(=C2C)C(C)CC)C1O

Other Names for this Substance

  • 6H-2-Benzopyran-7-carboxylic acid, 8-hydroxy-4-methyl-3-[(1S)-1-methylpropyl]-6-oxo-
  • Ascochytin
  • 6H-2-Benzopyran-7-carboxylic acid, 8-hydroxy-4-methyl-3-(1-methylpropyl)-6-oxo-, (S)-
  • 6H-2-Benzopyran-7-carboxylic acid, 3-sec-butyl-8-hydroxy-4-methyl-6-oxo-, (S)-(-)-
  • 8-Hydroxy-4-methyl-3-[(1S)-1-methylpropyl]-6-oxo-6H-2-benzopyran-7-carboxylic acid

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CAS INSIGHTSTM
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