12-Deoxyphorbol-13-isobutyrate-20-acetate

CAS Registry Number®

25090-71-5
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CAS Name

12-Deoxyphorbol-13-isobutyrate-20-acetate

Molecular Formula

C26H36O7

Molecular Mass

460.56

Cite this Page

12-Deoxyphorbol-13-isobutyrate-20-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=25090-71-5 (retrieved 2024-05-05) (CAS RN: 25090-71-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H36O7/c1-13(2)22(29)33-25-10-15(4)26(31)18(20(25)23(25,6)7)9-17(12-32-16(5)27)11-24(30)19(26)8-14(3)21(24)28/h8-9,13,15,18-20,30-31H,10-12H2,1-7H3/t15-,18+,19-,20-,24-,25+,26-/m1/s1

InChIKey

InChIKey=MTXOHECJOIIIJM-PHFLZNSYSA-N

SMILES

O(C(C(C)C)=O)[C@@]12[C@@](C1(C)C)([C@]3([C@](O)([C@H](C)C2)[C@]4([C@](O)(CC(COC(C)=O)=C3)C(=O)C(C)=C4)[H])[H])[H]

Canonical SMILES

O=C(OCC1=CC2C3C(OC(=O)C(C)C)(CC(C)C2(O)C4C=C(C(=O)C4(O)C1)C)C3(C)C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, (1aR,1bS,4aR,7aS,7bR,8R,9aS)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester
  • Isobutyric acid, 9a-ester with 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one 3-acetate
  • Propanoic acid, 2-methyl-, 3-[(acetyloxy)methyl]-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9aα)]-
  • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-decahydro-4aβ,7bα,9aα-trihydroxy-3-(hydroxymethyl)-1,1,6,8α-tetramethyl-, 3-acetate 9a-isobutyrate
  • 9aH-Cyclopropa[3,4]benz[1,2-e]azulene, propanoic acid deriv.

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