Found 1 result

Search term: 30790761 (Found by CSID)
ChemSpider 2D Image | (2S,3R,3aR,4aS,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-dimethyl-3,3a,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H,4bH-oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-3-ol | C27H35NO4

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

  • Molecular FormulaC27H35NO4
  • Average mass437.571 Da
  • Monoisotopic mass437.256622 Da
  • ChemSpider ID30790761

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2S,3R,3aR,4aS,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-dimethyl-3,3a,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H,4bH-oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-3-ol [German] [ACD/IUPAC Name]
(2S,3R,3aR,4aS,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-dimethyl-3,3a,5,6,6a,7,12,12b,12c,13,14,14a-dodecahydro-2H,4bH-oxireno[4',4a']chromeno[5',6':6,7]indeno[1,2-b]indol-3-ol [ACD/IUPAC Name]
(2S,3R,3aR,4aS,4bR,6aS,12bS,12cS,14aS)-2-(2-Hydroxy-2-propanyl)-12b,12c-diméthyl-3,3a,5,6,6a,7,12,12b,12c,13,14,14a-dodécahydro-2H,4bH-oxiréno[4',4a']chroméno[5',6':6,7]indéno[1,2-b]indol-3-ol [French] [ACD/IUPAC Name]
2H,6H-Oxireno[4',4a']-1-benzopyrano[5',6':6,7]indeno[1,2-b]indole-2-methanol, 3,3a,4b,5,6a,7,12,12b,12c,13,14,14a-dodecahydro-3-hydroxy-α,α,12b,12c-tetramethyl-, (2S,3R,3aR,4aS,4bR,6aS,12bS,12 cS,14aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 332.3±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1207.07
ACD/KOC (pH 5.5): 5591.16
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1207.07
ACD/KOC (pH 7.4): 5591.16
Polar Surface Area: 78 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 330.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement