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Search term: 160884 (Found by CSID)
ChemSpider 2D Image | Janthitrem E | C37H49NO6

Janthitrem E

  • Molecular FormulaC37H49NO6
  • Average mass603.788 Da
  • Monoisotopic mass603.356018 Da
  • ChemSpider ID160884

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3R,4bS,6aS,9S,9aR,15bS,15cR,17aS)-2-(2-Hydroxy-2-propanyl)-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]cyclopenta[1,2-f]indol-3,4b,9-triol [German] [ACD/IUPAC Name]
(2S,3R,4bS,6aS,9S,9aR,15bS,15cR,17aS)-2-(2-Hydroxy-2-propanyl)-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]cyclopenta[1,2-f]indole-3,4b,9-triol [ACD/IUPAC Name]
(2S,3R,4bS,6aS,9S,9aR,15bS,15cR,17aS)-2-(2-Hydroxy-2-propanyl)-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]cyclopenta[1,2-f]indole-3,4b,9-triol [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,9-triol, 2,3,5,6,6a,7,9,9a,10,12,15,15b,15c,16,17,17a-hexadecahydro-2-(1-hydroxy-1-methylethyl)-10,10,12,12,15b,15 c-hexamethyl-, (2S,3R,4bS,6aS,9S,9aR,15bS,15cR,17aS)- [ACD/Index Name]
90986-50-8 [RN]
Janthitrem E
(2S,3R,4BS,6AS,9S,9AR,15BS,15CR,17AS)-2-(2-HYDROXYPROPAN-2-YL)-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]CYCLOPENTA[1,2-F]INDOLE-3,4B,9-TRIOL
(2S,3R,6S,8S,9R,12S,15S,21S,22R)-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,24-dioxa-31-azaoctacyclo[15.14.0.02,15.03,12.06,11.018,30.020,28.022,27]hentriaconta-1(17),10,18,20(28),26,29-hexaene-9,12,21-triol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 800.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 438.2±34.3 °C
Index of Refraction: 1.669
Molar Refractivity: 169.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4767.94
ACD/KOC (pH 5.5): 14946.58
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4767.94
ACD/KOC (pH 7.4): 14946.58
Polar Surface Area: 115 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 453.3±5.0 cm3

Click to predict properties on the Chemicalize site


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