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

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Properties Simple | Detailed

Formula C22H30O6
IUPAC Name prostratin
Molecular Mass 390.470 g·mol−1
Heat of Formation -1003.4 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 470.83 Å 3
Surface Area 369.05 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 12-deoxyphorbol-13-acetate
  • 4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate
  • smp2_000144
InChIKey BOJKFRKNLSCGHY-HXGSDTCMSA-N
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