Found 1 result

Search term: OYOCUDSYYUCNIO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,5R,6S,15R,16S)-16-Hydroxy-5,15-dimethyl-14-oxo-8,13,17-trioxahexacyclo[14.2.2.1~1,12~.0~2,10~.0~5,9~.0~15,21~]henicos-10-en-6-yl acetate | C22H28O7

(1S,5R,6S,15R,16S)-16-Hydroxy-5,15-dimethyl-14-oxo-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-6-yl acetate

  • Molecular FormulaC22H28O7
  • Average mass404.453 Da
  • Monoisotopic mass404.183502 Da
  • ChemSpider ID30650471

  • defined stereocentres - 5 of 9 defined stereocentres

More details:

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

(1S,5R,6S,15R,16S)-16-Hydroxy-5,15-dimethyl-14-oxo-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-6-yl acetate [ACD/IUPAC Name]
(1S,5R,6S,15R,16S)-16-Hydroxy-5,15-dimethyl-14-oxo-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]henicos-10-en-6-yl-acetat [German] [ACD/IUPAC Name]
6H-5b,8-Ethano-4H,9H-benzofuro[7,6-h]furo[4,3,2-de][2]benzopyran-9-one, 3-(acetyloxy)-2,3,3a,5,5a,8,8a,10a,10b,11b-decahydro-8-hydroxy-3a,8a-dimethyl-, (3S,3aR,5bS,8S,8aR)- [ACD/Index Name]
Acétate de (1S,5R,6S,15R,16S)-16-hydroxy-5,15-diméthyl-14-oxo-8,13,17-trioxahexacyclo[14.2.2.11,12.02,10.05,9.015,21]hénicos-10-én-6-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.1±6.0 kJ/mol
Flash Point: 204.3±23.6 °C
Index of Refraction: 1.605
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.69
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 4.68
ACD/KOC (pH 5.5): 104.96
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 104.96
Polar Surface Area: 91 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 290.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement