Butanoic acid, 2-methyl-, (8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester

CAS Registry Number®

158515-39-0
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CAS Name

Butanoic acid, 2-methyl-, (8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester

Molecular Formula

C21H24O7

Molecular Mass

388.41

Cite this Page

Butanoic acid, 2-methyl-, (8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=158515-39-0 (retrieved 2024-09-19) (CAS RN: 158515-39-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24O7/c1-6-11(2)20(24)27-18-16-14(25-19(18)21(4,5)28-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h7-11,18-19H,6H2,1-5H3/t11?,18-,19+/m1/s1

InChIKey

InChIKey=UBLBUWKMSDCDLT-VEQZCADJSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 2-methyl-, (8S,9R)-8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester
  • 2H-Furo[2,3-h]-1-benzopyran, butanoic acid deriv.
  • Edulisin III