Deprecated ChemSpider Record

You have reached the page for a ChemSpider record that has been deprecated.

This page is not active and is only accessible by directly using this URL. If you have been directed here from another website or database please notify the administrator of that resource. See below for more details.


ChemSpider 2D Image | 3-Hydroxy-5-{[(4aS,6aS,6bR,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1H-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentanoic acid | C28H40O8

3-Hydroxy-5-{[(4aS,6aS,6bR,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1H-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentanoic acid

  • Molecular FormulaC28H40O8
  • Average mass504.612 Da
  • Monoisotopic mass504.272308 Da
  • ChemSpider ID10481120
  • defined stereocentres - 5 of 7 defined stereocentres


More details:





Date of deprecation: 10:10, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

3-Hydroxy-5-{[(4aS,6aS,6bR,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1H-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentanoic acid [ACD/IUPAC Name]
3-Hydroxy-5-{[(4aS,6aS,6bR,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-1H-benzo[a]fluoren-8-yl]methoxy}-3-methyl-5-oxopentansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-5-{[(4aS,6aS,6bR,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tétraméthyl-9,10-dioxo-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tétradécahydro-1H-benzo[a]fluorén-8-yl]méthoxy}-3-méthyl-5-oxopentanoïqu e [French] [ACD/IUPAC Name]
Pentanedioic acid, 3-hydroxy-3-methyl-, mono[[(4aS,6aS,6bR,11aR,11bS)-2,3,4,4a,5,6,6a,6b,9,10,10a,11,11a,11b-tetradecahydro-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-1H-benzo[a]fluoren-8-yl]methyl] ester [ACD/Index Name]
dasyscyphin C

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

Density: 1.2±0.1 g/cm3
Boiling Point: 665.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±6.0 kJ/mol
Flash Point: 215.3±25.0 °C
Index of Refraction: 1.555
Molar Refractivity: 129.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 7.72
ACD/KOC (pH 5.5): 60.13
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 138 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 404.3±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement