Ingenol 3,5,20-triacetate

CAS Registry Number®

30220-45-2

CAS Name

Ingenol 3,5,20-triacetate

Molecular Formula

C26H34O8

Molecular Mass

474.54

Cite this Page

Ingenol 3,5,20-triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=30220-45-2 (retrieved 2024-11-22) (CAS RN: 30220-45-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H34O8/c1-12-10-25-13(2)8-19-20(24(19,6)7)18(21(25)30)9-17(11-32-14(3)27)23(34-16(5)29)26(25,31)22(12)33-15(4)28/h9-10,13,18-20,22-23,31H,8,11H2,1-7H3/t13-,18+,19-,20+,22+,23-,25+,26-/m1/s1

InChIKey

InChIKey=IMTIXJBINQBHFH-JETAQZOISA-N

SMILES

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

Canonical SMILES

O=C(OCC1=CC2C(=O)C3(C=C(C)C(OC(=O)C)C3(O)C1OC(=O)C)C(C)CC4C2C4(C)C)C

Other Names for this Substance

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

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Deleted or Replaced CAS Registry Numbers

82425-36-3, 88262-89-9