ChemSpider 2D Image | Lasiokaurin | C22H30O7

Lasiokaurin

  • Molecular FormulaC22H30O7
  • Average mass406.469 Da
  • Monoisotopic mass406.199158 Da
  • ChemSpider ID24719155

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,5β,6β,8α,9β,10α,13α,14R)-6,7,14-Trihydroxy-15-oxo-7,20-epoxykaur-16-en-1-yl acetate [ACD/IUPAC Name]
(1α,5β,6β,8α,9β,10α,13α,14R)-6,7,14-Trihydroxy-15-oxo-7,20-epoxykaur-16-en-1-yl-acetat [German] [ACD/IUPAC Name]
28957-08-6 [RN]
Acétate de (1α,5β,6β,8α,9β,10α,13α,14R)-6,7,14-trihydroxy-15-oxo-7,20-époxykaur-16-én-1-yle [French] [ACD/IUPAC Name]
Lasiokaurin
[(1S,2S,5S,8R,9S,10S,11R,15S,18R)-9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate
CID 12305580
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL521234/
Lasiodin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 588.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.8±6.0 kJ/mol
Flash Point: 203.8±23.6 °C
Index of Refraction: 1.606
Molar Refractivity: 101.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.36
ACD/KOC (pH 5.5): 361.98
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.35
ACD/KOC (pH 7.4): 361.85
Polar Surface Area: 113 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 294.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement