Ingenol-3,5,20-triacetate

[(1S,4S,5R,6R,9S,10R,12R,14R)-4,6-diacetyloxy-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl acetate

CAS: 30220-45-2

Molecular Formula	`C26H34O8`
Molecular Weight	474.5 g/mol
LogP	1.4
Topological Polar Surface Area	116.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	474.22537
Heavy Atoms	34
Complexity	1020.0

Chemical Identifiers

CAS Number	30220-45-2
SMILES	`CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C)C)O)OC(=O)C)COC(=O)C`
InChIKey	`IMTIXJBINQBHFH-JETAQZOISA-N`

📖 Product Overview

Ingenol-3,5,20-triacetate (CAS: 30220-45-2) is a chemical compound with molecular formula C26H34O8 and molecular weight 474.5 g/mol. Its IUPAC systematic name is [(1S,4S,5R,6R,9S,10R,12R,14R)-4,6-diacetyloxy-5-hydroxy-3,11,11,14-tetramethyl-15-oxo-7-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl]methyl acetate. LogP 1.4 Topological Polar Surface Area 116.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 7 Exact Mass 474.22537 Heavy Atoms 34 Complexity 1020.0 InChI Key: IMTIXJBINQBHFH-JETAQZOISA-N. SMILES: CC1CC2C(C2(C)C)C3C=C(C(C4(C1(C3=O)C=C(C4OC(=O)C)C)O)OC(=O)C)COC(=O)C.

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