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ChemSpider 2D Image | 5,8,12,14,18,25,28-Heptahydroxy-6,21-dimethylheptacyclo[14.11.1.0~2,11~.0~2,15~.0~4,9~.0~17,26~.0~19,24~]octacosa-4,6,8,11,17(26),18,21,24-octaene-3,10,20,23,27-pentone | C30H22O12

5,8,12,14,18,25,28-Heptahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4,6,8,11,17(26),18,21,24-octaene-3,10,20,23,27-pentone

  • Molecular FormulaC30H22O12
  • Average mass574.489 Da
  • Monoisotopic mass574.111145 Da
  • ChemSpider ID21251116

More details:

Date of deprecation: 14:56, Aug 12, 2015
Reason for deprecation: Deprecate record: no defined stereochemistry

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

5,8,12,14,18,25,28-Heptahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4,6,8,11,17(26),18,21,24-octaen-3,10,20,23,27-penton [German] [ACD/IUPAC Name]
5,8,12,14,18,25,28-Heptahydroxy-6,21-dimethylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4,6,8,11,17(26),18,21,24-octaene-3,10,20,23,27-pentone [ACD/IUPAC Name]
5,8,12,14,18,25,28-Heptahydroxy-6,21-diméthylheptacyclo[14.11.1.02,11.02,15.04,9.017,26.019,24]octacosa-4,6,8,11,17(26),18,21,24-octaène-3,10,20,23,27-pentone [French] [ACD/IUPAC Name]
9,17-Methanonaphtho[2',3':5,6]cyclohept[1,2-d]anthracene-5,11,14,16,18(17H)-pentone, 7,8,8a,9-tetrahydro-1,4,6,8,10,15,19-heptahydroxy-2,12-dimethyl- [ACD/Index Name]
(-)-ruboskyrin
(-)-Rubroskyrin
5,8,12,14,18,25,28-heptahydroxy-6,21-dimethylheptacyclo[14.11.1.0²,¹¹.0²,¹⁵.0⁴,⁹.0¹⁷,²⁶.0¹⁹,²⁴]octacosa-4,6,8,11,17,19(24),21,25-octaene-3,10,20,23,27-pentone
9,17-Methanonaphtho[2',3':5,6]cyclohept[1,2-d]anthracene-5,11,14,16,18(17H)-pentone, 7,8,8a,9-tetrahydro-1,4,6,8,10,15,19-heptahydroxy-2,12-dimethyl-, [8S-(8α,8aα,9α,17α,17aS*,19S*)]-
Rubroskyrin
RUBROSKYRIN (-)

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1074.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.0±3.0 kJ/mol
Flash Point: 617.2±30.8 °C
Index of Refraction: 1.861
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 6.53
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 42.85
ACD/KOC (pH 5.5): 112.02
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 140.6±5.0 dyne/cm
Molar Volume: 299.2±5.0 cm3

Click to predict properties on the Chemicalize site


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