Found 15 results

Search term: MF = 'C_{36}H_{50}O_{14}'
ChemSpider 2D Image | (1R,2R,4aS,5R)-1,4a-Dimethyl-6-methylene-5-[(2E)-2-(2-oxodihydro-3(2H)-furanylidene)ethyl]-1-{[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]methyl}decahydro-2-naphthalenyl acetate | C36H50O14

(1R,2R,4aS,5R)-1,4a-Dimethyl-6-methylene-5-[(2E)-2-(2-oxodihydro-3(2H)-furanylidene)ethyl]-1-{[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]methyl}decahydro-2-naphthalenyl acetate

  • Molecular FormulaC36H50O14
  • Average mass706.774 Da
  • Monoisotopic mass706.320068 Da
  • ChemSpider ID24783194

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1R,2R,4aS,5R)-1,4a-Dimethyl-6-methylen-5-[(2E)-2-(2-oxodihydro-3(2H)-furanyliden)ethyl]-1-{[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]methyl}decahydro-2-naphthalinyl-acetat [German] [ACD/IUPAC Name]
(1R,2R,4aS,5R)-1,4a-Dimethyl-6-methylene-5-[(2E)-2-(2-oxodihydro-3(2H)-furanylidene)ethyl]-1-{[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]methyl}decahydro-2-naphthalenyl acetate [ACD/IUPAC Name]
2(3H)-Furanone, 3-[2-[(1R,5R,6R,8aS)-6-(acetyloxy)decahydro-5,8a-dimethyl-2-methylene-5-[[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]methyl]-1-naphthalenyl]ethylidene]dihydro-, (3E)- [ACD/Index Name]
Acétate de (1R,2R,4aS,5R)-1,4a-diméthyl-6-méthylène-5-[(2E)-2-(2-oxodihydro-3(2H)-furanylidène)éthyl]-1-{[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]méthyl}décahydro-2-naphtalényle [French] [ACD/IUPAC 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: 726.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 293.5±32.9 °C
Index of Refraction: 1.532
Molar Refractivity: 174.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4687.80
ACD/KOC (pH 5.5): 14766.34
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4687.80
ACD/KOC (pH 7.4): 14766.34
Polar Surface Area: 176 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 562.6±5.0 cm3

Click to predict properties on the Chemicalize site


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