Ostruthol

CAS Registry Number®

642-08-0
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CAS Name

Ostruthol

Molecular Formula

C21H22O7

Molecular Mass

386.40

Cite this Page

Ostruthol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=642-08-0 (retrieved 2024-05-18) (CAS RN: 642-08-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    225 °C @ Press: 0.015 Torr

  • Melting Point (2)

    134-134.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H22O7/c1-5-12(2)20(23)28-17(21(3,4)24)11-26-19-13-6-7-18(22)27-16(13)10-15-14(19)8-9-25-15/h5-10,17,24H,11H2,1-4H3/b12-5-/t17-/m1/s1

InChIKey

InChIKey=WXULKGXQMWVWMP-OMLDUKLJSA-N

SMILES

O(C[C@@H](OC(/C(=C\C)/C)=O)[C@](C)(C)O)C=1C2=C(C=C3C1C=CO3)OC(=O)C=C2

Canonical SMILES

O=C1OC=2C=C3OC=CC3=C(OCC(OC(=O)C(=CC)C)C(O)(C)C)C2C=C1

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1R)-2-hydroxy-2-methyl-1-[[(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]methyl]propyl ester, (2Z)-
  • Ostruthol
  • Crotonic acid, 2-methyl-, 2-ester with 4-(2,3-dihydroxy-3-methylbutoxy)-7H-furo[3,2-g][1]benzopyran-7-one, (Z)-(-)-
  • 2-Butenoic acid, 2-methyl-, 2-hydroxy-2-methyl-1-[[(7-oxo-7H-furo[3,2-g][1]benzopyran-4-yl)oxy]methyl]propyl ester, [R-(Z)]-
  • 5-Benzofuranacrylic acid, 4-(2,3-dihydroxy-3-methylbutoxy)-6-hydroxy-, δ-lactone, 2-angelate

View All

Deleted or Replaced CAS Registry Numbers

20052-69-1, 26091-75-8

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