ChemSpider 2D Image | Vobtusine | C43H50N4O6

Vobtusine

  • Molecular FormulaC43H50N4O6
  • Average mass718.880 Da
  • Monoisotopic mass718.373047 Da
  • ChemSpider ID66217

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

19772-79-3 [RN]
243-288-5 [EINECS]
Spiro[1H,15aH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2aH),6'(7'H)-[4H,5H,15aH,16H]furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid, 2',3',4,4'a,5,6,8,12'c,13,13',14, 14',17',17'a-tetradecahydro-12'c-hydroxy-9'-methoxy-, methyl ester, (2S,2aS,3a'R,4a'R,5aR,12bR,12b'R,12c'R,15aR,15a'S,17a'S)- [ACD/Index Name]
spiro[1H,15aH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2aH),6'(7'H)-[4H,5H,15aH,16H]furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylic acid, 2',3',4,4'a,5,6,8,12'c,13,13',14,14',17',17'a-tetradecahydro-12'c-hydroxy-9'-methoxy-, methyl ester, (2S,2aS,3a'R,4a'R,5aR,12bR,12b'R,12c'R,15aR,15a'S,17a'S)-
Vobtusin [German] [ACD/IUPAC Name]
Vobtusine [ACD/IUPAC Name]
Vobtusine [French] [ACD/IUPAC Name]
4641215 [Beilstein]
77486 [Beilstein]

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

4641215; 77486 [DBID]
CHEBI:10016 [DBID]
NSC 180540 [DBID]

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: 1.740
Molar Refractivity: 195.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 2.66
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 301.57
ACD/KOC (pH 7.4): 712.37
Polar Surface Area: 96 Å2
Polarizability: 77.6±0.5 10-24cm3
Surface Tension: 79.0±5.0 dyne/cm
Molar Volume: 485.9±5.0 cm3

Click to predict properties on the Chemicalize site


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