ChemSpider 2D Image | Dasyscyphin D | C22H32O2

Dasyscyphin D

  • Molecular FormulaC22H32O2
  • Average mass328.488 Da
  • Monoisotopic mass328.240234 Da
  • ChemSpider ID21396140

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

Dasyscyphin D
(3S,4aR,6aS,11aR,11bR)-4,4,6a,8,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluoren-3,7-diol [German] [ACD/IUPAC Name]
(3S,4aR,6aS,11aR,11bR)-4,4,6a,8,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluorene-3,7-diol [ACD/IUPAC Name]
(3S,4aR,6aS,11aR,11bR)-4,4,6a,8,11b-Pentaméthyl-2,3,4,4a,5,6,6a,11,11a,11b-décahydro-1H-benzo[a]fluorène-3,7-diol [French] [ACD/IUPAC Name]
1H-Benzo[a]fluorene-3,7-diol, 2,3,4,4a,5,6,6a,11,11a,11b-decahydro-4,4,6a,8,11b-pentamethyl-, (3S,4aR,6aS,11aR,11bR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL505417/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 437.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 191.4±23.3 °C
Index of Refraction: 1.564
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.10
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 14934.36
ACD/KOC (pH 5.5): 33843.05
ACD/LogD (pH 7.4): 5.80
ACD/BCF (pH 7.4): 14925.56
ACD/KOC (pH 7.4): 33823.10
Polar Surface Area: 40 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 302.1±3.0 cm3

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