ChemSpider 2D Image | (3R,3aR,5S,5aR,5bR,9S,11aR,13aR,13bS)-5-Hydroxy-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-1-oxooctadecahydro-1H-furo[3,4-c]naphtho[1,2-h]isochromen-9-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl )-beta-D-glucopyranoside | C42H68O14

(3R,3aR,5S,5aR,5bR,9S,11aR,13aR,13bS)-5-Hydroxy-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-1-oxooctadecahydro-1H-furo[3,4-c]naphtho[1,2-h]isochromen-9-yl 6-O-(6-deoxy-α-L-mannopyranosyl )-β-D-glucopyranoside

  • Molecular FormulaC42H68O14
  • Average mass796.981 Da
  • Monoisotopic mass796.460938 Da
  • ChemSpider ID35015055

  • defined stereocentres - 19 of 21 defined stereocentres

More details:

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

(3R,3aR,5S,5aR,5bR,9S,11aR,13aR,13bS)-5-Hydroxy-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-1-oxooctadecahydro-1H-furo[3,4-c]naphtho[1,2-h]isochromen-9-yl 6-O-(6-deoxy-α-L-mannopyranosyl )-β-D-glucopyranoside [ACD/IUPAC Name]
(3R,3aR,5S,5aR,5bR,9S,11aR,13aR,13bS)-5-Hydroxy-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-1-oxooctadecahydro-1H-furo[3,4-c]naphtho[1,2-h]isochromen-9-yl-6-O-(6-desoxy-α-L-mannopyranosy l)-β-D-glucopyranosid [German] [ACD/IUPAC Name]
1H-Furo[3,4-b]phenanthro[2,1-d]pyran-1-one, 9-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]octadecahydro-5-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-3-(3-methyl-2-buten-1-yl)-, (3R,3aR,5 S,5aR,5bR,9S,11aR,13aR,13bS)- [ACD/Index Name]
6-O-(6-Désoxy-α-L-mannopyranosyl)-β-D-glucopyranoside de (3R,3aR,5S,5aR,5bR,9S,11aR,13aR,13bS)-5-hydroxy-3a,5a,5b,8,8,11a-hexaméthyl-3-(3-méthyl-2-butén-1-yl)-1-oxooctadécahydro-1H-furo[3,4-c]n aphto[1,2-h]isochromén-9-yle [French] [ACD/IUPAC Name]
(1R,2R,3S,5R,6R,9S,10R,14R,17S)-3-hydroxy-1,2,5,14,18,18-hexamethyl-6-(3-methylbut-2-en-1-yl)-17-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4,7-dioxapentacyclo[11.8.0.0??,???.0?,?.0???,???]henicosan-8-one
Mabiogenin 3-[rhamnosyl-(1->6)-glucoside]
Mabioside C?

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 887.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 146.5±6.0 kJ/mol
Flash Point: 259.9±27.8 °C
Index of Refraction: 1.593
Molar Refractivity: 202.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 4
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1036.45
ACD/KOC (pH 5.5): 5013.38
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1036.43
ACD/KOC (pH 7.4): 5013.27
Polar Surface Area: 214 Å2
Polarizability: 80.4±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 598.6±5.0 cm3

Click to predict properties on the Chemicalize site


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