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(-)-Santonin

CAS Registry Number®

481-06-1

CAS Name

(-)-Santonin

Molecular Formula

C15H18O3

Molecular Mass

246.30

Cite this Page

(-)-Santonin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=481-06-1 (retrieved 2024-12-28) (CAS RN: 481-06-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    175 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10-,13-,15-/m0/s1

InChIKey

InChIKey=XJHDMGJURBVLLE-BOCCBSBMSA-N

SMILES

C[C@]12C([C@@]3([C@@](CC1)([C@H](C)C(=O)O3)[H])[H])=C(C)C(=O)C=C2

Canonical SMILES

O=C1C=CC2(C(=C1C)C3OC(=O)C(C)C3CC2)C

Other Names for this Substance

  • Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, (3S,3aS,5aS,9bS)-
  • Eudesma-1,4-dien-12-oic acid, 6α-hydroxy-3-oxo-, γ-lactone, (11S)-
  • Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3S-(3α,3aα,5aβ,9bβ)]-
  • (3S,3aS,5aS,9bS)-3a,5,5a,9b-Tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione
  • α-Santonin

View All

Deleted or Replaced CAS Registry Numbers

881738-49-4

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