ChemSpider 2D Image | Janthitrem C | C37H47NO4

Janthitrem C

  • Molecular FormulaC37H47NO4
  • Average mass569.773 Da
  • Monoisotopic mass569.350525 Da
  • ChemSpider ID137477

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3R,4bS,6aS,9aS,15bS,15cR,17aS)-2-Isopropenyl-10,10,12,12,15b,15c-hexamethyl-2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-4bH-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopen ta[1,2-f]indol-3,4b-diol [German] [ACD/IUPAC Name]
(2R,3R,4bS,6aS,9aS,15bS,15cR,17aS)-2-Isopropenyl-10,10,12,12,15b,15c-hexamethyl-2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-4bH-chromeno[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopen ta[1,2-f]indole-3,4b-diol [ACD/IUPAC Name]
(2R,3R,4bS,6aS,9aS,15bS,15cR,17aS)-2-Isopropényl-10,10,12,12,15b,15c-hexaméthyl-2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadécahydro-4bH-chroméno[5',6':6,7]indéno[1,2-b]pyrano[4',3':3,4]cyclopen ta[1,2-f]indole-3,4b-diol [French] [ACD/IUPAC Name]
4bH-1-Benzopyrano[5',6':6,7]indeno[1,2-b]pyrano[4',3':3,4]cyclopent[1,2-f]indole-3,4b-diol, 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-10,10,12,12,15b,15c-hexamethyl-2-(1-methylethenyl )-, (2R,3R,4bS,6aS,9aS,15bS,15cR,17aS)- [ACD/Index Name]
73561-91-8 [RN]
Janthitrem C
(2S,3R,6S,8R,9R,12S,15S,22S)-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18(30),19,26,28-hexaene-9,12-diol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.2±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 165.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 2
ACD/LogP: 7.17
ACD/LogD (pH 5.5): 7.11
ACD/BCF (pH 5.5): 148676.61
ACD/KOC (pH 5.5): 175334.70
ACD/LogD (pH 7.4): 7.11
ACD/BCF (pH 7.4): 148676.77
ACD/KOC (pH 7.4): 175334.89
Polar Surface Area: 75 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 453.1±5.0 cm3

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