Phorbol 12,13-dibutyrate

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

CAS: 37558-16-0

Molecular Formula	`C28H40O8`
Molecular Weight	504.6 g/mol
LogP	2.0
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	504.2723
Heavy Atoms	36
Complexity	1030.0

Chemical Identifiers

CAS Number	37558-16-0
SMILES	`CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C`
InChIKey	`BQJRUJTZSGYBEZ-YVQNUNKESA-N`

📖 Product Overview

Phorbol 12,13-dibutyrate (CAS: 37558-16-0) is a chemical compound with molecular formula C28H40O8 and molecular weight 504.6 g/mol. Its IUPAC systematic name is [(1S,2S,6R,10S,11R,13S,14R,15R)-13-butanoyloxy-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] butanoate. LogP 2.0 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 504.2723 Heavy Atoms 36 Complexity 1030.0 InChI Key: BQJRUJTZSGYBEZ-YVQNUNKESA-N. SMILES: CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C.

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