(1Ar,1Bs,4Ar,7As,7Bs,8R,9R,9As)-4A,7B,9A-Trihydroxy-3-(Hydroxymethyl)-1,1,6,8-Tetramethyl-5-Oxo-1A,1B,4,4A,5,7A,7B,8,9,9A-Decahydro-1H-Cyclopropa[3,4]Benzo[1,2-E]Azulen-9-Yl Myristate

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Properties Simple | Detailed

Formula C25H14O7
IUPAC Name penta-1,3-diyn-1-ol; (3r)-2,10,14-trimethylene-6-(oxomethylene)spiro[2.13]hexadeca-4,11-diyne-8,9,13,15,16-pentone
Molecular Mass 426.374 g·mol−1
Heat of Formation -1467.2 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 742.41 Å 3
Surface Area 611.29 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • phorbol-12-monomyristate
  • phorbol-12-myristate
  • tetradecanoic acid, (1ar,1bs,4ar,7as,7bs,8r,9r,9as)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1h-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester
  • tetradecanoic acid, 1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b,9a-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1h-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1ar-(1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha))-
CAS Number(s)
  • 32752-30-0
  • 20839-06-9
InChIKey XLCISDOVNFLSGO-VONOSFMSSA-N
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