ChemSpider 2D Image | 5,8,10,14,20,23,25,28-Octahydroxy-6,21-dimethyloctacyclo[14.11.1.0~2,11~.0~2,15~.0~4,9~.0~13,17~.0~17,26~.0~19,24~]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone | C30H22O12

5,8,10,14,20,23,25,28-Octahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone

  • Molecular FormulaC30H22O12
  • Average mass574.489 Da
  • Monoisotopic mass574.111145 Da
  • ChemSpider ID28613

More details:

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

5,8,10,14,20,23,25,28-Octahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaen-3,12,18,27-tetron [German] [ACD/IUPAC Name]
5,8,10,14,20,23,25,28-Octahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaene-3,12,18,27-tetrone [ACD/IUPAC Name]
5,8,10,14,20,23,25,28-Octahydroxy-6,21-diméthyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4,6,8,10,19,21,23,25-octaène-3,12,18,27-tétrone [French] [ACD/IUPAC Name]
(1β,1'β,3β,3'β)-8,8'-Dihydroxy-rugulosin
10088-79-6 [RN]
1402-11-5 [RN]
2,2',4,4'5,5',8,8'-Octahydroxy-2,2',3,3'-tetrahydro-7,7'-dimethyl-1,1'-bianthraquinone
27618-64-0 [RN]
5H, 6H-6,13a,5a,14-[1,2,3,4]Butanetetraylcycloocta[1,2-b:5, 6-b']dinaphthalene-5,8,13,16 (14H)-tetrone, 1,4,7,9,12,15,17, 20-octahydroxy-3,11-dimethyl-
5H,6H-6,13a,5a,14-(1,2,3,4)Butanetetraylcycloocta(1,2-b:5,6-b')dinaphthalene-5,8,13,16(14H)-tetrone, 1,4,7,9,12,15,17,20-octahydroxy-3,11-dimethyl-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS031098 [DBID]
AIDS-031098 [DBID]
CCRIS 365 [DBID]
HSDB 3508 [DBID]
NCI60_001196 [DBID]
NSC 160879 [DBID]
NSC160879 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point: 979.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 149.6±3.0 kJ/mol
Flash Point: 560.1±30.8 °C
Index of Refraction: 1.927
Molar Refractivity: 134.0±0.4 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 4
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 162.00
ACD/KOC (pH 5.5): 391.74
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 1.64
ACD/KOC (pH 7.4): 3.96
Polar Surface Area: 230 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 160.8±5.0 dyne/cm
Molar Volume: 282.2±5.0 cm3

Click to predict properties on the Chemicalize site


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