ChemSpider 2D Image | antcamphin A | C24H36O5

antcamphin A

  • Molecular FormulaC24H36O5
  • Average mass404.540 Da
  • Monoisotopic mass404.256287 Da
  • ChemSpider ID31128917

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3R,4S,5S,10S,12R,13R,14R,17R)-3,12-Dihydroxy-17-[(2R)-4-hydroxy-2-butanyl]-4,10,13-trimethyl-3,4,5,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7,11(2H,6H)-dion [German] [ACD/IUPAC Name]
(3R,4S,5S,10S,12R,13R,14R,17R)-3,12-Dihydroxy-17-[(2R)-4-hydroxy-2-butanyl]-4,10,13-trimethyl-3,4,5,10,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-7,11(2H,6H)-dione [ACD/IUPAC Name]
(3R,4S,5S,10S,12R,13R,14R,17R)-3,12-Dihydroxy-17-[(2R)-4-hydroxy-2-butanyl]-4,10,13-triméthyl-3,4,5,10,12,13,14,15,16,17-décahydro-1H-cyclopenta[a]phénanthrène-7,11(2H,6H)-dione [French] [ACD/IUPAC Name]
antcamphin A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 319.2±26.6 °C
Index of Refraction: 1.573
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.22
ACD/KOC (pH 5.5): 498.55
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.22
ACD/KOC (pH 7.4): 498.54
Polar Surface Area: 95 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 331.1±5.0 cm3

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