ChemSpider 2D Image | (5beta,6beta,7alpha,8alpha,9beta,10alpha,11beta,13alpha,14R)-7,11,14,15-Tetrahydroxy-7,20-epoxykaur-16-en-6-yl acetate | C22H32O7

(5β,6β,7α,8α,9β,10α,11β,13α,14R)-7,11,14,15-Tetrahydroxy-7,20-epoxykaur-16-en-6-yl acetate

  • Molecular FormulaC22H32O7
  • Average mass408.485 Da
  • Monoisotopic mass408.214813 Da
  • ChemSpider ID23311648

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(5β,6β,7α,8α,9β,10α,11β,13α,14R)-7,11,14,15-Tetrahydroxy-7,20-epoxykaur-16-en-6-yl acetate [ACD/IUPAC Name]
(5β,6β,7α,8α,9β,10α,11β,13α,14R)-7,11,14,15-Tetrahydroxy-7,20-epoxykaur-16-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,6β,7α,8α,9β,10α,11β,13α,14R)-7,11,14,15-tétrahydroxy-7,20-époxykaur-16-én-6-yle [French] [ACD/IUPAC Name]
rabdoternin D

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

Density: 1.4±0.1 g/cm3
Boiling Point: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 206.5±23.6 °C
Index of Refraction: 1.613
Molar Refractivity: 102.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 27.93
ACD/KOC (pH 5.5): 377.33
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 27.93
ACD/KOC (pH 7.4): 377.30
Polar Surface Area: 116 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 295.4±5.0 cm3

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