Found 22 results

Search term: MF = 'C_{39}H_{45}NO_{6}'
ChemSpider 2D Image | (1'R,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-Benzoyl-3-(2,4-dimethoxybenzyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.0~1,9~.0~2,6~.0~10,15~]nonadeca[16,18]dien]-2-one | C39H45NO6

(1'R,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-Benzoyl-3-(2,4-dimethoxybenzyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca[16,18]dien]-2-one

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID5160411

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1'R,2'S,5S,6'S,9'R,10'R,13'S,15'R)-17'-Benzoyl-3-(2,4-dimethoxybenzyl)-13'-hydroxy-6',10'-dimethyl-2H-spiro[1,3-oxazolidine-5,5'-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca[16,18]dien]-2-one [ACD/IUPAC Name]
SES1_004108

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: 1.649
Molar Refractivity: 174.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 6.27
ACD/BCF (pH 5.5): 34232.13
ACD/KOC (pH 5.5): 61281.81
ACD/LogD (pH 7.4): 6.27
ACD/BCF (pH 7.4): 34232.13
ACD/KOC (pH 7.4): 61281.81
Polar Surface Area: 85 Å2
Polarizability: 69.2±0.5 10-24cm3
Surface Tension: 61.2±5.0 dyne/cm
Molar Volume: 479.2±5.0 cm3

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