ChemSpider 2D Image | 7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate | C22H30O5

7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID24627850
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(7α,14R)-14-(Acetyloxy)-7-hydroxykaur-16-ene-3,15-dione
7-Hydroxy-3,15-dioxokaur-16-en-14-yl acetate [ACD/IUPAC Name]
7-Hydroxy-3,15-dioxokaur-16-en-14-yl-acetat [German] [ACD/IUPAC Name]
80508-81-2 [RN]
Acétate de 7-hydroxy-3,15-dioxokaur-16-én-14-yle [French] [ACD/IUPAC Name]
(4aS,6R,6aR,9S,11aS,11bR,12R)-6-hydroxy-4,4,11b-trimethyl-8-methylene-3,7-dioxotetradecahydro-6a,9-methanocyclohepta[a]naphthalen-12-yl acetate
Glaucocalyxin B
MFCD28144511

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

Density: 1.2±0.1 g/cm3
Boiling Point: 509.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 172.9±23.6 °C
Index of Refraction: 1.554
Molar Refractivity: 98.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 22.13
ACD/KOC (pH 5.5): 319.39
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 22.13
ACD/KOC (pH 7.4): 319.39
Polar Surface Area: 81 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 308.4±5.0 cm3

Click to predict properties on the Chemicalize site






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