Found 34 results

Search term: MF = 'C_{33}H_{47}NO_{9}'
ChemSpider 2D Image | (1alpha,5xi,6alpha,9xi,10alpha,14alpha,15alpha,16beta,17xi)-14-(Benzyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-8-yl acetate | C33H47NO9

(1α,5ξ,6α,9ξ,10α,14α,15α,16β,17ξ)-14-(Benzyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-8-yl acetate

  • Molecular FormulaC33H47NO9
  • Average mass601.728 Da
  • Monoisotopic mass601.325073 Da
  • ChemSpider ID8114277

  • defined stereocentres - 9 of 14 defined stereocentres

More details:

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

(1α,5ξ,6α,9ξ,10α,14α,15α,16β,17ξ)-14-(Benzyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-8-yl acetate [ACD/IUPAC Name]
(1α,5ξ,6α,9ξ,10α,14α,15α,16β,17ξ)-14-(Benzyloxy)-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-8-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1α,5ξ,6α,9ξ,10α,14α,15α,16β,17ξ)-14-(benzyloxy)-13,15-dihydroxy-1,6,16-triméthoxy-4-(méthoxyméthyl)-20-méthylaconitan-8-yle [French] [ACD/IUPAC Name]
Aconitane-8,13,15-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-14-(phenylmethoxy)-, 8-acetate, (1α,5ξ,6α,9ξ,10α,14α,15α,16β,17ξ)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 351.1±31.5 °C
Index of Refraction: 1.601
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.83
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 4.37
ACD/KOC (pH 5.5): 65.43
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.63
ACD/KOC (pH 7.4): 278.99
Polar Surface Area: 116 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 457.7±5.0 cm3

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