4-O-Methylphorbol-12,13-diacetate

[(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-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] acetate

Also Known As: 4-O-Methylphorbol-12,13-diacetate|KST-1A3195|(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 diacetate|Kaur-16-en-18-oic acid, 15-oxo-, methyl ester, (4a)-|5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b,9,9a-trihydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-, 9,9a-diacetate, (+)-|5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one, 1,1aalpha,1bbeta,4,4a,7aalpha,7b,8,9,9a-decahydro-7balpha,9beta,9aalpha trihydroxy-3-(hydroxymethyl)-4abeta-methoxy-1,1,6,8alpha-tetramethyl-, 9,9a-diacetate, (+)-|5H-Cyclopropa(3,4)benz(1,2-e)azulen-5-one,1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b,9,9a-trihydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-,9,9a-diacetate,(+)|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)-4a.beta.-methoxy-1,1,6,8.alpha.-tetramethyl-, 9,9a-diacetate, ()-|5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one, 9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-, [1aR-(1a.alpha.,1b.beta.,4a.beta.,7a.alpha.,7b.alpha.,8.alpha.,9.beta.,9a.alpha.)]-|5H-Cyclopropa[3,4]benz[1,2-e]azulen-5-one,9,9a-bis(acetyloxy)-1,1a,1b,4,4a,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-4a-methoxy-1,1,6,8-tetramethyl-,[1aR-(1aa,1bb,4ab,7aa,7ba,8a,9b,9aa)]- (9CI)|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 diacetate

Molecular Formula	C25H34O8
Molecular Weight	462.22537 g/mol
LogP	0.8
Topological Polar Surface Area	119.0 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	462.22537
Monoisotopic Mass	462.22537
Heavy Atoms	33
Complexity	979.0

Chemical Identifiers

CAS Number	25457-65-2
SMILES	C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)OC)C)O)OC(=O)C)OC(=O)C
InChIKey	JCFQHNGACWXQLL-SUKCUDRDSA-N