ChemSpider 2D Image | (4R,4aR,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-4a,12b,12c-trimethyl-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-4-ol | C28H39NO3

(4R,4aR,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-4a,12b,12c-trimethyl-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-4-ol

  • Molecular FormulaC28H39NO3
  • Average mass437.614 Da
  • Monoisotopic mass437.292999 Da
  • ChemSpider ID23310089

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(4R,4aR,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-4a,12b,12c-trimethyl-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-4-ol [German] [ACD/IUPAC Name]
(4R,4aR,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-4a,12b,12c-trimethyl-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-4-ol [ACD/IUPAC Name]
(4R,4aR,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-4a,12b,12c-triméthyl-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tétradécahydro-2H-chroméno[5',6':6,7]indéno[1,2-b]indol-4-ol [French] [ACD/IUPAC Name]
(4R,4aR,4bR,6aS,12bS,12cS,14aS)-2-(2-hydroxypropan-2-yl)-4a,12b,12c-trimethyl-3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-4-ol
2H-1-Benzopyrano[5',6':6,7]indeno[1,2-b]indole-2-methanol, 3,4,4a,4b,5,6,6a,7,12,12b,12c,13,14,14a-tetradecahydro-4-hydroxy-α,α,4a,12b,12c-pentamethyl-, (4R,4aR,4bR,6aS,12bS,12cS,14aS)- [ACD/Index Name]
(1S,2S,5S,9R,10R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2,10-trimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-16(24),17,19,21-tetraen-9-ol
CHEMBL254433

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

Density: 1.2±0.0 g/cm3
Boiling Point: 597.1±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 93.5±0.0 kJ/mol
Flash Point: 314.9±0.0 °C
Index of Refraction: 1.614
Molar Refractivity: 127.7±0.0 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.78
ACD/BCF (pH 5.5): 14651.48
ACD/KOC (pH 5.5): 33383.03
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14651.50
ACD/KOC (pH 7.4): 33383.06
Polar Surface Area: 65 Å2
Polarizability: 50.6±0.0 10-24cm3
Surface Tension: 51.4±0.0 dyne/cm
Molar Volume: 366.4±0.0 cm3

Click to predict properties on the Chemicalize site


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