Ingenol mebutate

CAS Registry Number®

75567-37-2
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CAS Name

Ingenol mebutate

Molecular Formula

C25H34O6

Molecular Mass

430.53

Cite this Page

Ingenol mebutate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75567-37-2 (retrieved 2024-03-02) (CAS RN: 75567-37-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34O6/c1-7-12(2)22(29)31-21-13(3)10-24-14(4)8-17-18(23(17,5)6)16(20(24)28)9-15(11-26)19(27)25(21,24)30/h7,9-10,14,16-19,21,26-27,30H,8,11H2,1-6H3/b12-7-/t14-,16+,17-,18+,19-,21+,24+,25+/m1/s1

InChIKey

InChIKey=VDJHFHXMUKFKET-WDUFCVPESA-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]2OC(/C(=C\C)/C)=O

Canonical SMILES

O=C(OC1C(=CC23C(=O)C(C=C(CO)C(O)C12O)C4C(CC3C)C4(C)C)C)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, (1aR,2S,5R,5aS,6S,8aS,9R,10aR)-1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, (2Z)-
  • 2-Butenoic acid, 2-methyl-, 1a,2,5,5a,6,9,10,10a-octahydro-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1H-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-6-yl ester, [1aR-[1aα,2β,5β,5aβ,6β(Z),8aα,9α,10aα]]-
  • 1H-2,8a-Methanocyclopenta[a]cyclopropa[e]cyclodecene, 2-butenoic acid deriv.
  • 3-Angeloylingenol
  • Euphorbia factor An1

Deleted or Replaced CAS Registry Numbers

849146-39-0

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