12-O-(12(N)-dansylaminododecanoyl)phorbol 12,20-diacetate

[(1R,2R,7S,10S,14R,15R)-13-acetyloxy-8-(acetyloxymethyl)-1,7-dihydroxy-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 12-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]dodecanoate

Also Known As: Dansyl-tpa-20-acetate|KST-1A0226|(1bs,4s,7ar,7br,8r,9r)-9a-(acetyloxy)-3-[(acetyloxy)methyl]-4,7b-dihydroxy-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 12-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)dodecanoate|12-O-(12(N)-Dansylaminododecanoyl)phorbol 12,20-diacetate|Dodecanoic acid, 12-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-, 9a-(acetyloxy)-3-((acetyloxy)methyl)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa(3,4)benz(1,2-e)azulen-9-yl ester, (1aR-(1aalpha,1bbeta,4abeta,7aalpha,7balpha,8alpha,9beta,9aalpha))-

Molecular Formula	C48H66N2O11S
Molecular Weight	878.4387 g/mol
LogP	6.8
Topological Polar Surface Area	194.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	22
Exact Mass	878.4387
Monoisotopic Mass	878.4387
Heavy Atoms	62
Complexity	1840.0

Chemical Identifiers

CAS Number	6296-01-1
SMILES	C[C@@H]1[C@H](C2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)C4[C@@H](C(=C3)COC(=O)C)O)C)O)OC(=O)C)OC(=O)CCCCCCCCCCCNS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C
InChIKey	CIBJUFUBRNRNTF-ZGXFIIIUSA-N