ChemSpider 2D Image | NSC 38876 | C34H54O4

NSC 38876

  • Molecular FormulaC34H54O4
  • Average mass526.790 Da
  • Monoisotopic mass526.402222 Da
  • ChemSpider ID206347

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(3β)-Lup-20(29)-en-3,28-diyldiacetat
(3β)-Lup-20(29)-en-3,28-diyl-diacetat [German] [ACD/IUPAC Name]
(3β)-Lup-20(29)-ene-3,28-diyl diacetate [ACD/IUPAC Name]
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methyl acetate
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethylicosahydro-3aH-cyclopenta[a]chrysen-3a-yl]methylacetat
Acétate de (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(acétoxyméthyl)-5a,5b,8,8,11a-pentaméthyl-1-(1-propèn-2-yl)icosahydro-1H-cyclopenta[a]chrysén-9-yle
Acetic acid (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetoxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-eicosahydro-cyclopenta[a]chrysen-3a-ylmethyl ester
betulin 3,28-diacetate
BETULIN DIACETATE
Betulinol diacetate
More...

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

2067908 [DBID]
U2YW502S1Q [DBID]
AIDS080364 [DBID]
AIDS-080364 [DBID]
NCI60_003697 [DBID]
NSC38876 [DBID]
UNII:U2YW502S1Q [DBID]
UNII-U2YW502S1Q [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 548.1±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 258.0±21.0 °C
Index of Refraction: 1.526
Molar Refractivity: 152.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 10.80
ACD/LogD (pH 5.5): 9.84
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 5363500.50
ACD/LogD (pH 7.4): 9.84
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 5363500.50
Polar Surface Area: 53 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 40.3±5.0 dyne/cm
Molar Volume: 496.2±5.0 cm3

Click to predict properties on the Chemicalize site


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