Azadiradione

CAS Registry Number®

26241-51-0

CAS Name

Azadiradione

Molecular Formula

C28H34O5

Molecular Mass

450.57

Cite this Page

Azadiradione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=26241-51-0 (retrieved 2025-01-03) (CAS RN: 26241-51-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H34O5/c1-16(29)33-23-14-20-25(2,3)22(31)8-11-26(20,4)19-7-10-27(5)21(28(19,23)6)13-18(30)24(27)17-9-12-32-15-17/h8-9,11-13,15,19-20,23-24H,7,10,14H2,1-6H3/t19-,20+,23-,24-,26-,27-,28-/m1/s1

InChIKey

InChIKey=KWAMDQVQFVBEAU-HMWIRDDCSA-N

SMILES

C[C@]12C=3[C@](C)([C@@H](C(=O)C3)C=4C=COC4)CC[C@@]1([C@]5(C)[C@@](C[C@H]2OC(C)=O)(C(C)(C)C(=O)C=C5)[H])[H]

Canonical SMILES

O=C(OC1CC2C(C=CC(=O)C2(C)C)(C)C3CCC4(C(=CC(=O)C4C5=COC=C5)C13C)C)C

Other Names for this Substance

  • 24-Norchola-1,14,20,22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-4,4,8-trimethyl-, (5α,7α,13α,17α)-
  • 24-Nor-5α,13α,17α-chola-1,14,20,22-tetraene-3,16-dione, 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-tetraene-3,16-dione
  • Azadiradione

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