Edultin

CAS Registry Number®

15591-75-0
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CAS Name

Edultin

Molecular Formula

C21H22O7

Molecular Mass

386.40

Cite this Page

Edultin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15591-75-0 (retrieved 2024-05-10) (CAS RN: 15591-75-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    136-142 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22O7/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/h6-10,18-19H,1-5H3/b11-6-/t18-,19+/m1/s1

InChIKey

InChIKey=FFCDTHIJWHJUQJ-JZWAJAMXSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Butenoic 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, (2Z)-
  • Crotonic acid, 2-methyl-, ester with 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-H]-1-benzopyran-2-one 8-acetate, (Z)-
  • 2-Butenoic acid, 2-methyl-, 8-[1-(acetyloxy)-1-methylethyl]-8,9-dihydro-2-oxo-2H-furo[2,3-h]-1-benzopyran-9-yl ester, [8S-[8α,9α(Z)]]-
  • Edultin
  • 5-Benzofuranacrylic acid, 2,3-dihydro-3,4-dihydroxy-2-(1-hydroxy-1-methylethyl)-, δ-lactone, 2-acetate, 3-angelate

View All

Deleted or Replaced CAS Registry Numbers

4847-27-2, 11051-87-9, 29534-84-7

CAS INSIGHTSTM
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