12-Deoxyphorbol-13-angelate

[1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbut-2-enoate

Also Known As: 12-Deoxyphorbol-13-angelate|5'-DEOXYLAVENDUSTIN|12-deoxyphorbol-13-tiglate|12-Deoxyphorbol 13-angelate|12-Deoxy-phorbol-13-tiglate|[1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbut-2-enoate|2-Butenoic acid, 2-methyl-, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, [1aR-[1a.alpha.,1b.beta.,4a.beta.,7a.alpha.,7b.alpha.,8.alpha.,9.beta.,9a.alpha.-(E)]]-|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-3-(hydroxymethyl)-1,1,6,8-alpha-tetramethyl-4a-beta,7b-alpha,9a-alpha-trihydroxy-, 9a-(2-methyl-2-butenoate), (E)-

Molecular Formula	C25H34O6
Molecular Weight	430.23553 g/mol
LogP	1.9
Topological Polar Surface Area	104.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	430.23553
Monoisotopic Mass	430.23553
Heavy Atoms	31
Complexity	942.0

Chemical Identifiers

CAS Number	28152-96-7
SMILES	CC=C(C)C(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)CO)O)C
InChIKey	GFAGCYRBGVCTPP-UHFFFAOYSA-N