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Colforsin

Molecular FormulaC₂₇H₄₃NO₈
Average mass509.632 Da
Monoisotopic mass509.298859 Da
ChemSpider ID392052

- 8 of 8 defined stereocentres

More details:

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl N,N-dimethyl-β-alaninate [ACD/IUPAC Name]

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl-N,N-dimethyl-β-alaninat [German] [ACD/IUPAC Name]

113462-26-3 [RN]

1196KQZ976

Colforsin [INN] [USAN] [Wiki]

colforsina [Spanish]

colforsine [French]

colforsinum [Latin]

N,N-Dimethyl-Î²-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester

N,N-Diméthyl-β-alaninate de (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acétoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-6-yle [French] [ACD/IUPAC Name]

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β-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester [ACD/Index Name]

(+)-(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-Dodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-benzo[f]chromen-6-yl N,N-dimethyl-β-alaninate

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-dodecahydro-1H-naphtho[2,1-b]pyran-6-yl 3-(dimethylamino)propanoate

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxododecahydro-1H-naphtho[2,1-b]pyran-6-yl N,N-dimethyl-β-alaninate

[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-dimethylaminopropanoate

[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-dimethylaminopropanoate

3-dimethylaminopropanoic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] ester

3-dimethylaminopropionic acid [(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetoxy-10,10b-dihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] ester

6-(3-dimethylaminopropionyl)forskolin

66575-29-9 [RN]

colforsin dapropate

COLFORSIN DAROPATE

N,N-dimethyl-β-alanine (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10-10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester

UNII:1196KQZ976

UNII-1196KQZ976

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Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Miscellaneous

Chemical Class:

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.2±0.1 g/cm³
Boiling Point:	582.7±50.0 °C at 760 mmHg
Vapour Pressure:	0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization:	100.0±6.0 kJ/mol
Flash Point:	306.2±30.1 °C
Index of Refraction:	1.541
Molar Refractivity:	133.2±0.4 cm³
#H bond acceptors:	9
#H bond donors:	2
#Freely Rotating Bonds:	8
#Rule of 5 Violations:	1

ACD/LogP:	4.30
ACD/LogD (pH 5.5):	0.90
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	3.70
ACD/LogD (pH 7.4):	2.43
ACD/BCF (pH 7.4):	20.16
ACD/KOC (pH 7.4):	126.87
Polar Surface Area:	123 Å²
Polarizability:	52.8±0.5 10^-24cm³
Surface Tension:	49.3±5.0 dyne/cm
Molar Volume:	423.6±5.0 cm³

Click to predict properties on the Chemicalize site

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Colforsin

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