Crispanone

CAS Registry Number®

11053-21-7
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CAS Name

Crispanone

Molecular Formula

C20H30O4

Molecular Mass

334.45

Cite this Page

Crispanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=11053-21-7 (retrieved 2024-09-21) (CAS RN: 11053-21-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    77-78 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H30O4/c1-7-14(5)18(22)24-17-10-13(4)8-9-20(23)15(12(2)3)11-16(21)19(17,20)6/h7,10,12,15,17,23H,8-9,11H2,1-6H3/b14-7-/t15-,17-,19-,20+/m1/s1

InChIKey

InChIKey=IVSKJBHOJBAMEK-PLZRYLHISA-N

SMILES

C[C@@]12[C@@](O)([C@@H]([C@H](C)C)CC1=O)CCC(C)=C[C@H]2OC(/C(=C\C)/C)=O

Canonical SMILES

O=C(OC1C=C(C)CCC2(O)C(CC(=O)C12C)C(C)C)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1R,3aR,4R,8aS)-1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-(1-methylethyl)-3-oxo-4-azulenyl ester, (2Z)-
  • Vaginatin
  • 2-Butenoic acid, 2-methyl-, 1,2,3,3a,4,7,8,8a-octahydro-8a-hydroxy-3a,6-dimethyl-1-(1-methylethyl)-3-oxo-4-azulenyl ester, [1R-[1α,3aα,4β(Z),8aα]]-
  • Crispanone

Deleted or Replaced CAS Registry Numbers

141797-27-5