 Home > Encyclopedia > [(1S,2S,6R,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] 5-azido-2-nitrobenzoate

[(1S,2S,6R,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] 5-azido-2-nitrobenzoate

[(1S,2S,6R,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] 5-azido-2-nitrobenzoate structure

CAS No:
96657-96-4
Formula:
C29H32N4O10
Chemical Name:
[(1S,2S,6R,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] 5-azido-2-nitrobenzoate
Synonyms:
12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate;NABPA;12-O-(5-Azido-2-nitrobenzoylphorbol)-13-acetate;96657-96-4;NABPA;DTXSID10914402;9a-(Acetyloxy)-4a,7b-dihydroxy-3-(hydroxymethyl)-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 5-azido-2-nitrobenzoate;Benzoic acid, 5-azido-2-nitro-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-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,9abeta))-

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[(1S,2S,6R,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] 5-azido-2-nitrobenzoate Basic Attributes

Molecular Weight：

596.6 g/mol

Exact Mass：

596.21184323 g/mol

Characteristics

PSA：

191 Å²

Drug Information

MeSH Entry Terms：

12-O-(5-azido-2-nitrobenzoylphorbol)-13-acetate

Computed Properties

Molecular Weight:596.6
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:7
Exact Mass:596.21184323
Monoisotopic Mass:596.21184323
Topological Polar Surface Area:191
Heavy Atom Count:43
Complexity:1380
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

[(2R,3S,4R,5R)-5-(6-amino-8-azidopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] 5-azido-2-nitrobenzoate

129391-97-5

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Guide of [(1S,2S,6R,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] 5-azido-2-nitrobenzoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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