ChemSpider 2D Image | (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-6-[(isobutylcarbamoyl)oxy]-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate | C27H43NO8

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-6-[(isobutylcarbamoyl)oxy]-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate

  • Molecular FormulaC27H43NO8
  • Average mass509.632 Da
  • Monoisotopic mass509.298859 Da
  • ChemSpider ID8705077

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-6-[(isobutylcarbamoyl)oxy]-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-Dihydroxy-6-[(isobutylcarbamoyl)oxy]-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl-acetat [German] [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-6-{[(2-methylpropyl)carbamoyl]oxy}-1-oxododecahydro-1H-benzo[f]chromen-5-yl acetate
Acétate de (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-dihydroxy-6-[(isobutylcarbamoyl)oxy]-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-5-yle [French] [ACD/IUPAC Name]
Carbamic acid, N-(2-methylpropyl)-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester [ACD/Index Name]
Acetic acid (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-10,10b-dihydroxy-6-isobutylcarbamoyloxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-dodecahydro-benzo[f]chromen-5-yl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point: 601.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.7±6.0 kJ/mol
Flash Point: 317.6±31.5 °C
Index of Refraction: 1.537
Molar Refractivity: 132.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.27
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1298.90
ACD/KOC (pH 5.5): 5892.45
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1298.31
ACD/KOC (pH 7.4): 5889.75
Polar Surface Area: 131 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 425.4±5.0 cm3

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