(8S,9R)-8,9-Dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl 3-methylbutanoate

CAS Registry Number®

1892-56-4
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CAS Name

(8S,9R)-8,9-Dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl 3-methylbutanoate

Molecular Formula

C24H30O7

Molecular Mass

430.49

Cite this Page

(8S,9R)-8,9-Dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl 3-methylbutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1892-56-4 (retrieved 2024-09-06) (CAS RN: 1892-56-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    58-60 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23+/m1/s1

InChIKey

InChIKey=KPLBOWKEQXYXSD-PKTZIBPZSA-N

SMILES

O(C(CC(C)C)=O)[C@@H]1C=2C3=C(C=CC2O[C@@H]1[C@](OC(CC(C)C)=O)(C)C)C=CC(=O)O3

Canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC(C(OC(=O)CC(C)C)C32)C(OC(=O)CC(C)C)(C)C

Other Names for this Substance

  • Butanoic acid, 3-methyl-, (8S,9R)-8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester
  • Isovaleric acid, diester with 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one, (8S,9R)-
  • Butanoic acid, 3-methyl-, 8,9-dihydro-8-[1-methyl-1-(3-methyl-1-oxobutoxy)ethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester, (8S-cis)-
  • Athamantin
  • 2H-Furo[2,3-h]-1-benzopyran-2-one, 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-, diisovalerate

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Deleted or Replaced CAS Registry Numbers

5794-17-2