ChemSpider 2D Image | Methyl (2S,2aS,3a'R,4a'R,5aR,12bR,12b'S,12c'S,15aR,15a'R,17a'S)-9'-methoxy-2'-oxo-2',3',4,4a',5,6,8,12c',13,13',14,14',17',17a'-tetradecahydro-4'H,5'H,16'H-spiro[furo[2',3':7,8]indolizino[8,1-cd]carba zole-2,6'-furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylate | C43H48N4O6

Methyl (2S,2aS,3a'R,4a'R,5aR,12bR,12b'S,12c'S,15aR,15a'R,17a'S)-9'-methoxy-2'-oxo-2',3',4,4a',5,6,8,12c',13,13',14,14',17',17a'-tetradecahydro-4'H,5'H,16'H-spiro[furo[2',3':7,8]indolizino[8,1-cd]carba zole-2,6'-furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylate

  • Molecular FormulaC43H48N4O6
  • Average mass716.864 Da
  • Monoisotopic mass716.357361 Da
  • ChemSpider ID26607716

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

Methyl (2S,2aS,3a'R,4a'R,5aR,12bR,12b'S,12c'S,15aR,15a'R,17a'S)-9'-methoxy-2'-oxo-2',3',4,4a',5,6,8,12c',13,13',14,14',17',17a'-tetradecahydro-4'H,5'H,16'H-spiro[furo[2',3':7,8]indolizino[8,1-cd]carba zole-2,6'-furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole]-7-carboxylate [ACD/IUPAC 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-9'-methoxy-2'-oxo-, methyl ester, (2S,2aS,3a'R,4a'R,5aR,12bR,12b'S,12c'S,15aR,15a'R,17a'S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1797185/

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: 1.733
Molar Refractivity: 194.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 41.01
ACD/KOC (pH 7.4): 136.32
Polar Surface Area: 93 Å2
Polarizability: 77.1±0.5 10-24cm3
Surface Tension: 76.9±5.0 dyne/cm
Molar Volume: 485.6±5.0 cm3

Click to predict properties on the Chemicalize site


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