Found 31 results

Search term: MF = 'C_{33}H_{47}NO_{3}'
ChemSpider 2D Image | (3S)-3-{[(3R,4aS,6aS,8S,10aR,10bS)-3-(2-Hydroxy-2-propanyl)-6a,10b-dimethyl-7-methylenedodecahydro-1H-benzo[f]chromen-8-yl]methyl}-1-(2-methyl-3-buten-2-yl)-1,3-dihydro-2H-indol-2-one | C33H47NO3

(3S)-3-{[(3R,4aS,6aS,8S,10aR,10bS)-3-(2-Hydroxy-2-propanyl)-6a,10b-dimethyl-7-methylenedodecahydro-1H-benzo[f]chromen-8-yl]methyl}-1-(2-methyl-3-buten-2-yl)-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC33H47NO3
  • Average mass505.731 Da
  • Monoisotopic mass505.355591 Da
  • ChemSpider ID30770840

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S)-3-{[(3R,4aS,6aS,8S,10aR,10bS)-3-(2-Hydroxy-2-propanyl)-6a,10b-dimethyl-7-methylendodecahydro-1H-benzo[f]chromen-8-yl]methyl}-1-(2-methyl-3-buten-2-yl)-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
(3S)-3-{[(3R,4aS,6aS,8S,10aR,10bS)-3-(2-Hydroxy-2-propanyl)-6a,10b-dimethyl-7-methylenedodecahydro-1H-benzo[f]chromen-8-yl]methyl}-1-(2-methyl-3-buten-2-yl)-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3S)-3-{[(3R,4aS,6aS,8S,10aR,10bS)-3-(2-Hydroxy-2-propanyl)-6a,10b-diméthyl-7-méthylènedodécahydro-1H-benzo[f]chromén-8-yl]méthyl}-1-(2-méthyl-3-butén-2-yl)-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
2H-Indol-2-one, 1-(1,1-dimethyl-2-propen-1-yl)-3-[[(3R,4aS,6aS,8S,10aR,10bS)-dodecahydro-3-(1-hydroxy-1-methylethyl)-6a,10b-dimethyl-7-methylene-1H-naphtho[2,1-b]pyran-8-yl]methyl]-1,3-dihydro-, (3S)- [ACD/Index Name]
anthcolorin D

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

Density: 1.1±0.1 g/cm3
Boiling Point: 624.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 331.4±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 150.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 7.67
ACD/LogD (pH 5.5): 7.33
ACD/BCF (pH 5.5): 219546.02
ACD/KOC (pH 5.5): 231760.20
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 219547.22
ACD/KOC (pH 7.4): 231761.48
Polar Surface Area: 50 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 455.3±5.0 cm3

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