ChemSpider 2D Image | (−)-Conophyllidine | C44H50N4O9

(−)-Conophyllidine

  • Molecular FormulaC44H50N4O9
  • Average mass778.889 Da
  • Monoisotopic mass778.357788 Da
  • ChemSpider ID17596709

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(−)-Conophyllidine
(7aS,8S,8aS,13aR,17aS,19aR,20bR,21aR,23aR)-7a,13a-Diéthyl-2,8-dihydroxy-3,4-diméthoxy-5,7,7a,8a,11,13,13a,17a,18,19,20b,21a,22,23-tétradécahydro-8H,16H-indolizino[1,8-fg]indolo[2'',3'':7',8']pyrrolo[1 '',2'',3'':1',8']quinoléino[2',3':4,5]furo[2,3-b]carbazole-6,12-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
8H,16H-Indolizino[1,8-fg]indolo[2'',3'':7',8']pyrrolo[1'',2'',3'':1',8']quino[2',3':4,5]furo[2,3-b]carbazole-6,12-dicarboxylic acid, 7a,13a-diethyl-5,7,7a,8a,11,13,13a,17a,18,19,20b,21a,22,23-tetradec ahydro-2,8-dihydroxy-3,4-dimethoxy-, dimethyl ester, (7aS,8S,8aS,13aR,17aS,19aR,20bR,21aR,23aR)- [ACD/Index Name]
8H,16H-indolizino[1,8-fg]indolo[2'',3'':7',8']pyrrolo[1'',2'',3'':1',8']quino[2',3':4,5]furo[2,3-b]carbazole-6,12-dicarboxylic acid, 7a,13a-diethyl-5,7,7a,8a,11,13,13a,17a,18,19,20b,21a,22,23-tetradecahydro-2,8-dihydroxy-3,4-dimethoxy-, dimethyl ester, (7aS,8S,8aS,13aR,17aS,19aR,20bR,21aR,23aR)-
Dimethyl (7aS,8S,8aS,13aR,17aS,19aR,20bR,21aR,23aR)-7a,13a-diethyl-2,8-dihydroxy-3,4-dimethoxy-5,7,7a,8a,11,13,13a,17a,18,19,20b,21a,22,23-tetradecahydro-8H,16H-indolizino[1,8-fg]indolo[2'',3'':7',8'] pyrrolo[1'',2'',3'':1',8']quinolino[2',3':4,5]furo[2,3-b]carbazole-6,12-dicarboxylate [ACD/IUPAC Name]
dimethyl (7aS,8S,8aS,13aR,17aS,19aR,20bR,21aR,23aR)-7a,13a-diethyl-2,8-dihydroxy-3,4-dimethoxy-5,7,7a,8a,11,13,13a,17a,18,19,20b,21a,22,23-tetradecahydro-8H,16H-indolizino[1,8-fg]indolo[2'',3'':7',8']pyrrolo[1'',2'',3'':1',8']quino[2',3':4,5]furo[2,3-b]carbazole-6,12-dicarboxylate
Dimethyl-(7aS,8S,8aS,13aR,17aS,19aR,20bR,21aR,23aR)-7a,13a-diethyl-2,8-dihydroxy-3,4-dimethoxy-5,7,7a,8a,11,13,13a,17a,18,19,20b,21a,22,23-tetradecahydro-8H,16H-indolizino[1,8-fg]indolo[2'',3'':7',8'] pyrrolo[1'',2'',3'':1',8']chinolino[2',3':4,5]furo[2,3-b]carbazol-6,12-dicarboxylat [German] [ACD/IUPAC Name]
Conophyllidine

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 207.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.99
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 164.93
ACD/KOC (pH 7.4): 973.21
Polar Surface Area: 151 Å2
Polarizability: 82.1±0.5 10-24cm3
Surface Tension: 78.5±5.0 dyne/cm
Molar Volume: 524.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement