Phorbol 12-myristate 13-acetate

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

CAS: 16561-29-8

Molecular Formula	`C36H56O8`
Molecular Weight	616.8 g/mol
LogP	6.5
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	17
Exact Mass	616.3975
Heavy Atoms	44
Complexity	1150.0

Chemical Identifiers

CAS Number	16561-29-8
SMILES	`CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C`
InChIKey	`PHEDXBVPIONUQT-RGYGYFBISA-N`

📖 Product Overview

Phorbol 12-myristate 13-acetate (CAS: 16561-29-8) is a chemical compound with molecular formula C36H56O8 and molecular weight 616.8 g/mol. Its IUPAC systematic name is [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] tetradecanoate. LogP 6.5 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 17 Exact Mass 616.3975 Heavy Atoms 44 Complexity 1150.0 InChI Key: PHEDXBVPIONUQT-RGYGYFBISA-N. SMILES: CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C.

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