ChemSpider 2D Image | (1alpha,5beta,6beta,9beta,10alpha,14S)-1,6,7,14-Tetrahydroxy-7,20-epoxykaur-16-en-15-one | C20H28O6

(1α,5β,6β,9β,10α,14S)-1,6,7,14-Tetrahydroxy-7,20-epoxykaur-16-en-15-one

  • Molecular FormulaC20H28O6
  • Average mass364.433 Da
  • Monoisotopic mass364.188599 Da
  • ChemSpider ID23089601
  • defined stereocentres - 6 of 9 defined stereocentres


More details:






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

(1α,5β,6β,9β,10α,14S)-1,6,7,14-Tetrahydroxy-7,20-epoxykaur-16-en-15-on [German] [ACD/IUPAC Name]
(1α,5β,6β,9β,10α,14S)-1,6,7,14-Tetrahydroxy-7,20-epoxykaur-16-en-15-one [ACD/IUPAC Name]
(1α,5β,6β,9β,10α,14S)-1,6,7,14-Tétrahydroxy-7,20-époxykaur-16-én-15-one [French] [ACD/IUPAC Name]
(8S,9S,10S,15S,18S,14R)-1,10,15,18-tetrahydroxy-13,13-dimethyl-4-methylene-16-oxapentacyclo[7.6.2.1<2,5>.0<2,8>.0<9,14>]octadecan-3-one
1,6,7,14-Tetrahydroxy-7,20-epoxykaur-16-en-15-one [ACD/IUPAC Name]
28957-04-2 [RN]
MFCD00221762 [MDL number]
NZ8177000

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.4±6.0 kJ/mol
Flash Point: 215.0±23.6 °C
Index of Refraction: 1.635
Molar Refractivity: 91.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.82
ACD/KOC (pH 5.5): 165.41
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.82
ACD/KOC (pH 7.4): 165.37
Polar Surface Area: 107 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 67.7±5.0 dyne/cm
Molar Volume: 256.5±5.0 cm3

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