Ingenol

CAS Registry Number®

30220-46-3
No image available.

CAS Name

Ingenol

Molecular Formula

C20H28O5

Molecular Mass

348.43

Cite this Page

Ingenol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30220-46-3 (retrieved 2024-07-16) (CAS RN: 30220-46-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O5/c1-9-7-19-10(2)5-13-14(18(13,3)4)12(17(19)24)6-11(8-21)16(23)20(19,25)15(9)22/h6-7,10,12-16,21-23,25H,5,8H2,1-4H3/t10-,12+,13-,14+,15+,16-,19+,20-/m1/s1

InChIKey

InChIKey=VEBVPUXQAPLADL-POYOOMFHSA-N

SMILES

O[C@@]12[C@@]3(C(=O)[C@]([C@]4([C@@](C[C@H]3C)(C4(C)C)[H])[H])(C=C(CO)[C@H]1O)[H])C=C(C)[C@@H]2O

Canonical SMILES

O=C1C2C=C(CO)C(O)C3(O)C(O)C(=CC13C(C)CC4C2C4(C)C)C

Other Names for this Substance

  • 1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-, (1aR,2S,5R,5aR,6S,8aS,9R,10aR)-
  • 1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-, [1aR-(1aα,2β,5β,5aβ,6β,8aα,9α,10aα)]-
  • (1aR,2S,5R,5aR,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-Octahydro-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-11-one
  • Ingenol
  • (-)-Ingenol

Deleted or Replaced CAS Registry Numbers

34711-58-5