Found 39 results

Search term: MF = 'C_{37}H_{58}O_{8}'
ChemSpider 2D Image | (1S,4S,5R,6R,9S,10R,12S,14R)-7-{[(2,2-Dimethylpropanoyl)oxy]methyl}-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0~1,5~.0~10,12~]pentadeca-2,7-dien-12-yl laurate | C37H58O8

(1S,4S,5R,6R,9S,10R,12S,14R)-7-{[(2,2-Dimethylpropanoyl)oxy]methyl}-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-12-yl laurate

  • Molecular FormulaC37H58O8
  • Average mass630.852 Da
  • Monoisotopic mass630.413147 Da
  • ChemSpider ID4981964

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,4S,5R,6R,9S,10R,12S,14R)-7-{[(2,2-Dimethylpropanoyl)oxy]methyl}-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-12-yl laurate [ACD/IUPAC Name]
(1S,4S,5R,6R,9S,10R,12S,14R)-7-{[(2,2-Dimethylpropanoyl)oxy]methyl}-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dien-12-yllaurat [German] [ACD/IUPAC Name]
Dodecanoic acid, (1aR,2S,5R,5aR,6S,8aS,9R,10aS)-4-[(2,2-dimethyl-1-oxopropoxy)methyl]-1,1a,2,5,5a,6,9,10-octahydro-5,5a,6-trihydroxy-1,1,7,9-tetramethyl-11-oxo-10aH-2,8a-methanocyclopenta[a]cyclopropa [e]cyclodecen-10a-yl ester [ACD/Index Name]
Laurate de (1S,4S,5R,6R,9S,10R,12S,14R)-7-{[(2,2-diméthylpropanoyl)oxy]méthyl}-4,5,6-trihydroxy-3,11,11,14-tétraméthyl-15-oxotétracyclo[7.5.1.01,5.010,12]pentadéca-2,7-dién-12-yle [French] [ACD/IUPAC Name]
Dodecanoic acid, (1aR,2S,5R,5aR,6S,8aS,10aS)-4-[(2,2-dimethyl-1-oxopropoxy)methyl]-1,1a,2,5,5a,6,9,10-octahydro-5,5a,6-trihydroxy-1,1,7,9-tetramethyl-11-oxo-10aH-2,8a-methanocyclopenta[a]cyclopropa[e]cyclodecen-10a-yl ester

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

AIDS337501 [DBID]
AIDS-337501 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 683.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.7±6.0 kJ/mol
Flash Point: 200.4±25.0 °C
Index of Refraction: 1.551
Molar Refractivity: 172.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.19
ACD/LogD (pH 5.5): 9.16
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2288957.50
ACD/LogD (pH 7.4): 9.16
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2288781.75
Polar Surface Area: 130 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 542.1±5.0 cm3

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