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

CAS Registry Number®

33044-93-8
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CAS Name

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

Molecular Formula

C21H22O7

Molecular Mass

386.40

Cite this Page

2-Butenoic acid, 3-methyl-, 1-[(8S,9R)-9-(acetyloxy)-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-8-yl]-1-methylethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=33044-93-8 (retrieved 2024-09-07) (CAS RN: 33044-93-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    124.5-125.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22O7/c1-11(2)10-16(24)28-21(4,5)20-19(25-12(3)22)17-14(26-20)8-6-13-7-9-15(23)27-18(13)17/h6-10,19-20H,1-5H3/t19-,20+/m1/s1

InChIKey

InChIKey=YTLKDGZSNPIHNO-UXHICEINSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

1760-28-7, 19474-89-6, 33530-21-1