ChemSpider 2D Image | fruticoside E | C37H58O9

fruticoside E

  • Molecular FormulaC37H58O9
  • Average mass646.851 Da
  • Monoisotopic mass646.408081 Da
  • ChemSpider ID26333439

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(2α,3β,4α,5α)-2-Acetoxy-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-4-methylergosta-7,24(28)-dien-21-oic acid [ACD/IUPAC Name]
(2α,3β,4α,5α)-2-Acetoxy-3-[(6-desoxy-α-L-mannopyranosyl)oxy]-4-methylergosta-7,24(28)-dien-21-säure [German] [ACD/IUPAC Name]
1289417-67-9 [RN]
Acide (2α,3β,4α,5α)-2-acétoxy-3-[(6-désoxy-α-L-mannopyranosyl)oxy]-4-méthylergosta-7,24(28)-dién-21-oïque [French] [ACD/IUPAC Name]
Ergosta-7,24(28)-dien-21-oic acid, 2-(acetyloxy)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-4-methyl-, (2α,3β,4α,5α)- [ACD/Index Name]
fruticoside E
(2α,3β,4α,5α)-2-(acetyloxy)-3-[(6-deoxy-α-L-mannopyranosyl)oxy]-4-methylergosta-7,24(28)-dien-21-oic acid
4α-methyl-2α-acetoxy-5α-ergost-7,24(28)-dien-21-oic acid-3β-O-α-L-rhamnopyranoside
  • Miscellaneous

    • Chemical Class:

      A steroid saponin that is 4-methylergosta-7,24(28)-dien-21-oic acid attached to an acetyloxy group at position 2, and a <stereo>alpha</stereo>-<stereo>L</stereo>-rhamnopyranosyloxy group at position 3 (the 2<stereo>alpha</stereo>,3<stereo>beta</stereo>,4<stereo>alpha</stereo>,5<stereo>alpha</stereo> stereoisomer). It has been isolated from the roots of <ital>Breynia fruticosa</ital>. ChEBI CHEBI:67588
      A steroid saponin that is 4-methylergosta-7,24(28)-dien-21-oic acid attached to an acetyloxy group at position 2, and a alpha-L-rhamnopyranosyloxy group at position 3 (the 2alpha,3beta,4alpha,5alpha s tereoisomer). It has been isolated from the roots of Breynia fruticosa. ChEBI CHEBI:67588
      A steroid saponin that is 4-methylergosta-7,24(28)-dien-21-oic acid attached to an acetyloxy group at position 2, and a alpha-L-rhamnopyranosyloxy group at position 3; (the 2alpha,3beta,4alpha,5alpha stereoisomer). It has been isolated from the roots of Breynia fruticosa. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:67588

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

Density: 1.2±0.1 g/cm3
Boiling Point: 738.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 123.0±6.0 kJ/mol
Flash Point: 220.7±26.4 °C
Index of Refraction: 1.562
Molar Refractivity: 173.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 8.61
ACD/LogD (pH 5.5): 6.00
ACD/BCF (pH 5.5): 13006.70
ACD/KOC (pH 5.5): 16907.07
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 204.90
ACD/KOC (pH 7.4): 266.34
Polar Surface Area: 143 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 51.8±5.0 dyne/cm
Molar Volume: 535.9±5.0 cm3

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