Phobol-12-Decanoate

[(1R,2S,6R,10S,11R,13S,14R,15R)-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate

Also Known As: Phobol-12-Decanoate|Sulfinoacetaldehyde|Phobol 12-Decanoate|PHORBOL-12-DECANOATE|Decanoic acid, (1aR,1bS,4aR,7aS,7bR,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|(1aR,1bS,4aR,7aS,7bR,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 decanoate|[(1R,2S,6R,10S,11R,13S,14R,15R)-1,6,13-Trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate|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 decanoate

Molecular Formula	C30H46O7
Molecular Weight	518.32434 g/mol
LogP	3.8
Topological Polar Surface Area	124.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	7
Rotatable Bonds	11
Exact Mass	518.32434
Monoisotopic Mass	518.32434
Heavy Atoms	37
Complexity	982.0

Chemical Identifiers

CAS Number	76423-68-2
SMILES	CCCCCCCCCC(=O)O[C@@H]1[C@H]([C@@]2([C@@H](C=C(C[C@]3([C@H]2C=C(C3=O)C)O)CO)[C@H]4[C@@]1(C4(C)C)O)O)C
InChIKey	LXYSVTVLQYLWKR-NHUQUWQTSA-N