ChemSpider 2D Image | Isobebeerine | C36H38N2O6

Isobebeerine

  • Molecular FormulaC36H38N2O6
  • Average mass594.697 Da
  • Monoisotopic mass594.273010 Da
  • ChemSpider ID544504

More details:

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

207-517-2 [EINECS]
477-62-3 [RN]
5,17-dimethoxy-1,13-dimethyl-2,3,12a,13,14,15,24,24a-octahydro-1H,12H-8,11:20,23-dietheno[1,10]dioxacyclooctadecino[13,12,11-ij:4,3,2-i'j']diisoquinoline-6,18-diol
5,20-Dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,28,31,34-dodecaen-4,19-diol [German] [ACD/IUPAC Name]
5,20-Dimethoxy-10,25-dimethyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,28,31,34-dodecaene-4,19-diol [ACD/IUPAC Name]
5,20-Diméthoxy-10,25-diméthyl-2,17-dioxa-10,25-diazaheptacyclo[26.2.2.213,16.13,7.118,22.011,36.026,33]hexatriaconta-1(30),3(36),4,6,13,15,18(33),19,21,28,31,34-dodécaène-4,19-diol [French] [ACD/IUPAC Name]
8,11:20,23-Dietheno-1H,12H-[1,10]dioxacyclooctadecino[13,12,11-ij:4,3,2-i'j']diisoquinoline-6,18-diol, 2,3,12a,13,14,15,24,24a-octahydro-5,17-dimethoxy-1,13-dimethyl- [ACD/Index Name]
Isobebeerine
isochondrodendrine
Isochondrodendrine (8CI)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C09543 [DBID]
RZ4K59A9CN [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 689.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.6±3.0 kJ/mol
Flash Point: 370.5±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 168.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.35
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 301.85
ACD/KOC (pH 7.4): 1312.96
Polar Surface Area: 84 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 480.0±3.0 cm3

Click to predict properties on the Chemicalize site


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