Found 4 results

Search term: KXYWXCIDKNDYTK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (3beta,5xi,12beta,25R)-12-acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate | C33H46O9

Methyl (3β,5ξ,12β,25R)-12-acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate

  • Molecular FormulaC33H46O9
  • Average mass586.713 Da
  • Monoisotopic mass586.314209 Da
  • ChemSpider ID57257079

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(3β,5ξ,12β,25R)-12-Acétoxy-3-hydroxy-7,11,15,23-tétraoxolanost-8-én-26-oate de méthyle [French] [ACD/IUPAC Name]
Lanost-8-en-26-oic acid, 12-(acetyloxy)-3-hydroxy-7,11,15,23-tetraoxo-, methyl ester, (3β,5ξ,12β,25R)- [ACD/Index Name]
Methyl (3β,5ξ,12β,25R)-12-acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oate [ACD/IUPAC Name]
Methyl-(3β,5ξ,12β,25R)-12-acetoxy-3-hydroxy-7,11,15,23-tetraoxolanost-8-en-26-oat [German] [ACD/IUPAC Name]
98665-11-3 [RN]
Methyl ganoderate H

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

Density: 1.2±0.1 g/cm3
Boiling Point: 684.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±6.0 kJ/mol
Flash Point: 210.4±25.0 °C
Index of Refraction: 1.544
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.96
ACD/KOC (pH 5.5): 1701.07
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.96
ACD/KOC (pH 7.4): 1701.07
Polar Surface Area: 141 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 480.7±5.0 cm3

Click to predict properties on the Chemicalize site


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