ChemSpider 2D Image | (2S,3R,3aR,4aS,4bR,6aS,12bS,12cS,14aS)-12b,12c-Dimethyl-2-{2-[(3-methyl-2-buten-1-yl)oxy]-2-propanyl}-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 | C32H43NO4

(2S,3R,3aR,4aS,4bR,6aS,12bS,12cS,14aS)-12b,12c-Dimethyl-2-{2-[(3-methyl-2-buten-1-yl)oxy]-2-propanyl}-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 FormulaC32H43NO4
  • Average mass505.688 Da
  • Monoisotopic mass505.319214 Da
  • ChemSpider ID8499363

  • 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)-12b,12c-Dimethyl-2-{2-[(3-methyl-2-buten-1-yl)oxy]-2-propanyl}-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)-12b,12c-Dimethyl-2-{2-[(3-methyl-2-buten-1-yl)oxy]-2-propanyl}-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)-12b,12c-Diméthyl-2-{2-[(3-méthyl-2-butén-1-yl)oxy]-2-propanyl}-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]indol-3-ol, 3,3a,4b,5,6a,7,12,12b,12c,13,14,14a-dodecahydro-12b,12c-dimethyl-2-[1-methyl-1-[(3-methyl-2-buten-1-yl)oxy]ethyl]-, (2S,3R,3aR,4a S,4bR,6aS,12bS,12cS,14aS)- [ACD/Index Name]
Terpendole D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 349.1±31.5 °C
Index of Refraction: 1.622
Molar Refractivity: 145.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39179.34
ACD/KOC (pH 5.5): 67498.37
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39179.34
ACD/KOC (pH 7.4): 67498.37
Polar Surface Area: 67 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 53.5±5.0 dyne/cm
Molar Volume: 413.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement