Found 123 results

Search term: MF = 'C_{31}H_{36}N_{2}O_{8}'
ChemSpider 2D Image | RAUNESCINE | C31H36N2O8

RAUNESCINE

  • Molecular FormulaC31H36N2O8
  • Average mass564.626 Da
  • Monoisotopic mass564.247192 Da
  • ChemSpider ID220391

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,16β,17α,18β,20α)-17-Hydroxy-18-[(3,4,5-triméthoxybenzoyl)oxy]yohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
117-73-7 [RN]
17a-Hydroxy-18b-[(3,4,5-trimethoxybenzoyl)oxy]-3b,20a-yohimban-16b-carboxylic Acid Methyl Ester
3,4,5-Trimethoxybenzoyl methyl raunescate
Methyl (3β,16β,17α,18β,20α)-17-hydroxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate [ACD/IUPAC Name]
Methyl-(3β,16β,17α,18β,20α)-17-hydroxy-18-[(3,4,5-trimethoxybenzoyl)oxy]johimban-16-carboxylat [German] [ACD/IUPAC Name]
RAUNESCINE
Yohimban-16-carboxylic acid, 17-hydroxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)- [ACD/Index Name]
3β, 20α-Yohimban-16β-carboxylic acid, 17α, 18β-dihydroxy-, methyl ester, 18- (3,4,5-trimethoxybenzoate)
3β,20α-Yohimban-16β-carboxylic acid, 17α,18β-dihydroxy-, methyl ester, 18-(3,4,5-trimethoxybenzoate)
More...

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

0063SJ21TG [DBID]
NSC72122 [DBID]
UNII:0063SJ21TG [DBID]
UNII-0063SJ21TG [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 693.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 373.2±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 149.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.55
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 1.61
ACD/KOC (pH 5.5): 10.97
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 80.62
ACD/KOC (pH 7.4): 550.05
Polar Surface Area: 120 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 411.9±5.0 cm3

Click to predict properties on the Chemicalize site


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