ChemSpider 2D Image | Ethyl (adamantan-1-ylmethyl){[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadeca-16,18-dien-5-yl]methyl}carbamate | C43H57NO5

Ethyl (adamantan-1-ylmethyl){[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}carbamate

  • Molecular FormulaC43H57NO5
  • Average mass667.916 Da
  • Monoisotopic mass667.423645 Da
  • ChemSpider ID5157775

  • defined stereocentres - 7 of 12 defined stereocentres

More details:

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

(Adamantan-1-ylméthyl){[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-diméthylpentacyclo[13.2.2.01,9.02,6.010,15]nonadéca-16,18-dién-5-yl]méthyl}carbamate d'éthyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[[(5R,8R,9R,10R,13S,14S,17S)-7-benzoyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-3,17-dihydroxy-10,13-dimethyl-5,8-etheno-2H-cyclopenta[a]phenanthren-17-yl]methyl]-N-(tricyclo[3.3.1 ;.13,7]dec-1-ylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl (adamantan-1-ylmethyl){[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}carbamate [ACD/IUPAC Name]
Ethyl-(adamantan-1-ylmethyl){[(1R,2S,5S,6S,9R,10R,15R)-17-benzoyl-5,13-dihydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dien-5-yl]methyl}carbamat [German] [ACD/IUPAC Name]
SES1_001348

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 190.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.54
ACD/LogD (pH 5.5): 7.97
ACD/BCF (pH 5.5): 674415.44
ACD/KOC (pH 5.5): 517507.66
ACD/LogD (pH 7.4): 7.97
ACD/BCF (pH 7.4): 674415.44
ACD/KOC (pH 7.4): 517507.66
Polar Surface Area: 87 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 532.4±5.0 cm3

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