ChemSpider 2D Image | (3beta,16beta)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-beta-D-galactopyranoside | C36H58O8

(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-β-D-galactopyranoside

  • Molecular FormulaC36H58O8
  • Average mass618.841 Da
  • Monoisotopic mass618.413147 Da
  • ChemSpider ID8184584

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy-β-D-galactopyranoside [ACD/IUPAC Name]
(3β,16β)-16,23,28-Trihydroxyoleana-11,13(18)-dien-3-yl-6-desoxy-β-D-galactopyranosid [German] [ACD/IUPAC Name]
6-Désoxy-β-D-galactopyranoside de (3β,16β)-16,23,28-trihydroxyoléana-11,13(18)-dién-3-yle [French] [ACD/IUPAC Name]
β-D-Galactopyranoside, (3β,16β)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl 6-deoxy- [ACD/Index Name]
(2R,3R,4S,5R,6R)-2-[[(3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyloxane-3,4,5-triol
99365-21-6 [RN]
Prosaikogenin A

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

Density: 1.3±0.1 g/cm3
Boiling Point: 739.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.2±6.0 kJ/mol
Flash Point: 401.3±32.9 °C
Index of Refraction: 1.599
Molar Refractivity: 168.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24031.96
ACD/KOC (pH 5.5): 47572.32
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24031.83
ACD/KOC (pH 7.4): 47572.06
Polar Surface Area: 140 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 492.7±5.0 cm3

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