Azadirone

CAS Registry Number®

25279-67-8
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CAS Name

Azadirone

Molecular Formula

C28H36O4

Molecular Mass

436.58

Cite this Page

Azadirone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=25279-67-8 (retrieved 2024-09-19) (CAS RN: 25279-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123-125 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C28H36O4/c1-17(29)32-24-15-22-25(2,3)23(30)10-13-27(22,5)21-9-12-26(4)19(18-11-14-31-16-18)7-8-20(26)28(21,24)6/h8,10-11,13-14,16,19,21-22,24H,7,9,12,15H2,1-6H3/t19-,21+,22-,24+,26-,27+,28-/m0/s1

InChIKey

InChIKey=XXIKKMLIDXLAIK-RFKFVWFBSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](C[C@H]1OC(C)=O)(C(C)(C)C(=O)C=C3)[H])(CC[C@]4(C)C2=CC[C@H]4C=5C=COC5)[H]

Canonical SMILES

O=C(OC1CC2C(C=CC(=O)C2(C)C)(C)C3CCC4(C(=CCC4C5=COC=C5)C13C)C)C

Other Names for this Substance

  • 24-Norchola-1,14,20,22-tetraen-3-one, 7-(acetyloxy)-21,23-epoxy-4,4,8-trimethyl-, (5α,7α,13α,17α)-
  • 24-Nor-5α,13α,17α-chola-1,14,20,22-tetraen-3-one, 21,23-epoxy-7α-hydroxy-4,4,8-trimethyl-, acetate
  • (5α,7α,13α,17α)-7-(Acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraen-3-one
  • Azadirone
  • Azadiron