ChemSpider 2D Image | Rubusoside | C32H50O13

Rubusoside

  • Molecular FormulaC32H50O13
  • Average mass642.732 Da
  • Monoisotopic mass642.325134 Da
  • ChemSpider ID23334893

  • defined stereocentres - 16 of 16 defined stereocentres

More details:

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

1-O-[(5β,8α,9β,10α,13α)-13-(β-D-Glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-(β-D-Glucopyranosyloxy)-18-oxokaur-16-en-18-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-(β-D-Glucopyranosyloxy)-18-oxokaur-16-én-18-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-(β-D-Glucopyranosyloxy)-19-oxokaur-16-en-19-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-(β-D-Glucopyranosyloxy)-19-oxokaur-16-en-19-yl]-β-D-glucopyranose [ACD/IUPAC Name]
1-O-[(5β,8α,9β,10α,13α)-13-(β-D-Glucopyranosyloxy)-19-oxokaur-16-én-19-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
64849-39-4 [RN]
Rubusoside
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
[64849-39-4] [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

TCV5K3M3GX [DBID]
UNII-TCV5K3M3GX [DBID]
UNII:TCV5K3M3GX [DBID]
  • Miscellaneous

    • Chemical Class:

      A steviol glycoside that is steviol in which both the carboxy group and the tertiary allylic hydroxy group have been converted to their corresponding beta-D-glucosides. A precious bioactive natural sw eetener which mainly exists the in Chinese sweet tea plant, Rubus suavissimus. ChEBI CHEBI:145021

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

Density: 1.5±0.1 g/cm3
Boiling Point: 802.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.4 mmHg at 25°C
Enthalpy of Vaporization: 132.9±6.0 kJ/mol
Flash Point: 251.9±27.8 °C
Index of Refraction: 1.628
Molar Refractivity: 156.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.27
ACD/KOC (pH 5.5): 144.01
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.27
ACD/KOC (pH 7.4): 144.00
Polar Surface Area: 216 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 441.3±5.0 cm3

Click to predict properties on the Chemicalize site


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