(1Ar,1Bs,4Ar,7As,7Bs,8R,9R,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]Azulene-9,9A-Diyl Dipropanoate

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Formula C25H15O8
IUPAC Name (1ar,1bs,4ar,7as,7bs,8r,9r,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]azulene-9,9a-diyl dipropanoate
Molecular Mass 443.382 g·mol−1
Heat of Formation -1446.2 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 570.87 Å 3
Surface Area 440.24 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
Synonyms
  • 5h-cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9,9a-bis(1-oxopropoxy)-, (1ar-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-
  • phorbol-12,13-dipropionate
CAS Number(s)
  • 51821-33-1
InChIKey LMLOFRDITXUVHZ-BPNNYVJBSA-N
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