Cas no 25090-76-0 (12-Deoxyphorbol-13,20-diacetate)

12-Deoxyphorbol-13,20-diacetate structure
25090-76-0 structure
Product Name:12-Deoxyphorbol-13,20-diacetate
CAS No:25090-76-0
MF:C24H32O7
MW:432.506688117981
CID:276396
PubChem ID:16760073
Update Time:2024-03-01

12-Deoxyphorbol-13,20-diacetate Chemical and Physical Properties

Names and Identifiers

    • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,9a-(acetyloxy)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-,[1aR-(1aa,1bb,4ab,7aa,7ba,8a,9aa)]- (9CI)
    • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,9a-(acetyloxy)-3-[(acetyloxy)methyl]-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihy
    • 12-Deoxyphorbol 13,20-diacetate
    • 12-Deoxyphorbol diacetate
    • 5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,1,1aa,1bb,4,4a,7aa,7b,8,9,9a-decahydro-4ab,7ba,9aa-trihydroxy-3-(hydroxymethyl)-1,1,6,8a-tetramethyl-, 3,9a-diacetate(8CI)
    • Q27138160
    • 5H-Cyclopropa(3,4)benz(1,2-c)azulen-5-one, 9a-(acetyloxy)-3-((acetyloxy)methyl)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9aalpha))-
    • 12-Deoxyphorbol-13,20-diacetate
    • SR-05000002353-2
    • CHEMBL1813584
    • SR-05000002353
    • SCHEMBL12209637
    • CHEBI:69819
    • NCGC00163536-01
    • [(1R,2S,6R,10S,11R,13S,15R)-13-acetyloxy-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl]methyl acetate
    • 25090-76-0
    • Inchi： 1S/C24H32O7/c1-12-7-18-22(28,20(12)27)10-16(11-30-14(3)25)8-17-19-21(5,6)23(19,31-15(4)26)9-13(2)24(17,18)29/h7-8,13,17-19,28-29H,9-11H2,1-6H3/t13-,17+,18-,19-,22-,23+,24-/m1/s1
    • InChI Key： NFSCEXJSMYPVGG-BACQOSNCSA-N
    • SMILES： O(C(C)=O)[C@@]12C[C@@H](C)[C@@]3([C@@H]4C=C(C)C([C@]4(CC(COC(C)=O)=C[C@H]3[C@@H]1C2(C)C)O)=O)O

Computed Properties

  • Exact Mass: 432.21480336g/mol
  • Monoisotopic Mass: 432.21480336g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 930
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 110
  • XLogP3: 1.3

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