4-O-methyl-phorbol-12,13-didecanoate

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

Also Known As: 4-O-MePdd|Zinc toluate|4-O-Methyl-phorbol-12,13-didecanoate|KST-1A6084|(1ar,1bs,4ar,7as,7bs,8r,9r,9as)-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-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 didecanoate|Decanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa(3,4)benz(1,2-e)azulene-9,9a-diyl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-|[(1S,2S,6R,10S,11R,13S,14R,15R)-13-decanoyloxy-1-hydroxy-8-(hydroxymethyl)-6-methoxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] decanoate|5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a-alpha,1b-beta,4,4a,7a-alpha,7b,8,9,9a-decahydro-7b-alpha,9-beta,9a-alpha-trihydroxy-3-hydroxymethyl-1,1,6,8-alpha-tetramethyl-4a-methoxy-, 9,9a-didecanoate|7b-Hydroxy-3-(hydroxymethyl)-4a-methoxy-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 didecanoate

Molecular Formula	C41H66O8
Molecular Weight	686.47577 g/mol
LogP	7.97
Topological Polar Surface Area	119.36 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	20
Exact Mass	686.47577
Heavy Atoms	49
Complexity	1235.7

Chemical Identifiers

CAS Number	54870-24-5
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)OC)CO)[C@H]4[C@@]1(C4(C)C)OC(=O)CCCCCCCCC)O)C