2-Butenoic acid, 3-methyl-, (8S,9R)-8,9-dihydro-8-[1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester

CAS Registry Number®

96608-82-1

CAS Name

2-Butenoic acid, 3-methyl-, (8S,9R)-8,9-dihydro-8-[1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester

Molecular Formula

C28H26O8

Molecular Mass

490.50

Cite this Page

2-Butenoic acid, 3-methyl-, (8S,9R)-8,9-dihydro-8-[1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylethyl]-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=96608-82-1 (retrieved 2024-11-25) (CAS RN: 96608-82-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H26O8/c1-16(2)15-23(32)35-26-24-20(12-8-18-9-14-21(30)34-25(18)24)33-27(26)28(3,4)36-22(31)13-7-17-5-10-19(29)11-6-17/h5-15,26-27,29H,1-4H3/b13-7+/t26-,27+/m1/s1

InChIKey

InChIKey=JZZJEBOMWXWTEY-KVZYTMNXSA-N

SMILES

O(C(C=C(C)C)=O)[C@@H]1C=2C3=C(C=CC2O[C@@H]1[C@](OC(/C=C/C4=CC=C(O)C=C4)=O)(C)C)C=CC(=O)O3

Canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC(C(OC(=O)C=C(C)C)C32)C(OC(=O)C=CC4=CC=C(O)C=C4)(C)C

Other Names for this Substance

  • 2-Butenoic acid, 3-methyl-, (8S,9R)-8,9-dihydro-8-[1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester
  • 2-Butenoic acid, 3-methyl-, 8,9-dihydro-8-[1-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1-methylethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester, [8S-[8α(E),9α]]-
  • 2-Butenoic acid, 3-methyl-, (8S,9R)-8,9-dihydro-8-[1-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]-1-methylethyl]-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester
  • 2H-Furo[2,3-h]-1-benzopyran, 2-butenoic acid deriv.
  • Edulisin I

CAS INSIGHTSTM
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