 Home > Encyclopedia > [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate

[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate

[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate structure

CAS No:
111399-48-5
Formula:
C32H43IN4O8
Chemical Name:
[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate
Synonyms:
3-iodo-4-azidophenethylamido-7-O-succinyldeacetylforskolin;IAPS-forskolin;111399-48-5;Iaps-forskolin;3-Iodo-4-azidophenethylamido-7-O-succinyldeacetylforskolin;DTXSID90912143;Butanoic acid, 4-((2-(4-azido-3-iodophenyl)ethyl)amino)-4-oxo-, 3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-5-yl ester, (3R-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-;N-[2-(4-Azido-3-iodophenyl)ethyl]-4-[(3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-5-yl)oxy]-4-oxobutanimidic acid

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[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate Basic Attributes

Molecular Weight：

738.6 g/mol

Exact Mass：

738.21256 g/mol

Characteristics

PSA：

157 Å²

Drug Information

MeSH Entry Terms：

3-iodo-4-azidophenethylamido-7-O-succinyldeacetylforskolin

Computed Properties

Molecular Weight:738.6
XLogP3:3.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:10
Exact Mass:738.21256
Monoisotopic Mass:738.21256
Topological Polar Surface Area:157
Heavy Atom Count:45
Complexity:1240
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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[(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-(4-methylpiperazin-1-yl)butanoate

110452-75-0

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Guide of [(3R,4aS,5R,6R,6aR,10R,10aS,10bR)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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