(-)-Xanthatin

CAS Registry Number®

26791-73-1
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CAS Name

(-)-Xanthatin

Molecular Formula

C15H18O3

Molecular Mass

246.30

Cite this Page

(-)-Xanthatin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=26791-73-1 (retrieved 2024-05-03) (CAS RN: 26791-73-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    111-112 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14-/m0/s1

InChIKey

InChIKey=RBRPTFMVULVGIC-ZTIIIDENSA-N

SMILES

C=C1[C@@]2([C@](C[C@H](C)C(/C=C/C(C)=O)=CC2)(OC1=O)[H])[H]

Canonical SMILES

O=C1OC2CC(C(C=CC(=O)C)=CCC2C1=C)C

Other Names for this Substance

  • 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-[(1E)-3-oxo-1-buten-1-yl]-, (3aR,7S,8aS)-
  • 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxo-1-butenyl)-, [3aR-(3aα,7β,8aβ)]-
  • Xanthatin
  • 3-Cycloheptene-1-acetic acid, 7-hydroxy-5-methyl-α-methylene-4-(3-oxo-1-butenyl)-, γ-lactone
  • 2H-Cyclohepta[b]furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-[(1E)-3-oxo-1-butenyl]-, (3aR,7S,8aS)-

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Deleted or Replaced CAS Registry Numbers

87-14-9, 21959-65-9, 160549-24-6

CAS INSIGHTSTM
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