Found 57 results

Search term: MF = 'C_{37}H_{58}O_{11}'
ChemSpider 2D Image | gagunin H | C37H58O11

gagunin H

  • Molecular FormulaC37H58O11
  • Average mass678.850 Da
  • Monoisotopic mass678.397888 Da
  • ChemSpider ID23342902

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1R,2R,3R,3aR,4S,5aR,6S,7S,8S,10aR,10bS)-7-Acetoxy-8-hydroxy-1-isopropyl-3a,5a,9-trimethyl-4-(propionyloxy)-1,2,3,3a,4,5,5a,6,7,8,10a,10b-dodecahydrocyclohepta[e]inden-2,3,6-triyl-tributanoat [German] [ACD/IUPAC Name]
(1R,2R,3R,3aR,4S,5aR,6S,7S,8S,10aR,10bS)-7-Acetoxy-8-hydroxy-1-isopropyl-3a,5a,9-trimethyl-4-(propionyloxy)-1,2,3,3a,4,5,5a,6,7,8,10a,10b-dodecahydrocyclohepta[e]indene-2,3,6-triyl tributanoate [ACD/IUPAC Name]
Butanoic acid, (1R,2R,3R,3aR,4S,5aR,6S,7S,8S,10aR,10bS)-7-(acetyloxy)-1,2,3,3a,4,5,5a,6,7,8,10a,10b-dodecahydro-8-hydroxy-3a,5a,9-trimethyl-1-(1-methylethyl)-4-(1-oxopropoxy)cyclohept[e]indene-2,3,6-t riyl ester [ACD/Index Name]
gagunin H
Tributanoate de (1R,2R,3R,3aR,4S,5aR,6S,7S,8S,10aR,10bS)-7-acétoxy-8-hydroxy-1-isopropyl-3a,5a,9-triméthyl-4-(propionyloxy)-1,2,3,3a,4,5,5a,6,7,8,10a,10b-dodécahydrocyclohepta[e]indène-2,3,6-triyle [French] [ACD/IUPAC Name]
(1R,2R,3R,3aR,4S,5aR,6S,7S,8S,10aR,10bS)-7-(acetyloxy)-8-hydroxy-3a,5a,9-trimethyl-4-(propanoyloxy)-1-(propan-2-yl)-1,2,3,3a,4,5,5a,6,7,8,10a,10b-dodecahydrocyclohepta[e]indene-2,3,6-triyl tributanoate
5-acetoxy-6,11,12-tributyroxy-4-hydroxy-9-propyroxyhomoverrucosa-
butanoic acid, (1R,2R,3R,3aR,4S,5aR,6S,7S,8S,10aR,10bS)-7-(acetyloxy)-1,2,3,3a,4,5,5a,6,7,8,10a,10b-dodecahydro-8-hydroxy-3a,5a,9-trimethyl-1-(1-methylethyl)-4-(1-oxopropoxy)cyclohept[e]indene-2,3,6-triyl ester
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL449631/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 671.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±6.0 kJ/mol
Flash Point: 192.0±25.0 °C
Index of Refraction: 1.518
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.89
ACD/BCF (pH 5.5): 100869.27
ACD/KOC (pH 5.5): 132821.86
ACD/LogD (pH 7.4): 6.89
ACD/BCF (pH 7.4): 100868.95
ACD/KOC (pH 7.4): 132821.42
Polar Surface Area: 152 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 586.3±5.0 cm3

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