Found 8 results

Search term: MF = 'C_{40}H_{36}O_{10}'
ChemSpider 2D Image | (2S,7S,14S)-6,18-Bis(2,4-dihydroxyphenyl)-10,12,22,24-tetrahydroxy-4,16-dimethylpentacyclo[19.3.1.1~9,13~.0~2,7~.0~14,19~]hexacosa-1(25),3,9(26),10,12,15,21,23-octaene-8,20-dione | C40H36O10

(2S,7S,14S)-6,18-Bis(2,4-dihydroxyphenyl)-10,12,22,24-tetrahydroxy-4,16-dimethylpentacyclo[19.3.1.19,13.02,7.014,19]hexacosa-1(25),3,9(26),10,12,15,21,23-octaene-8,20-dione

  • Molecular FormulaC40H36O10
  • Average mass676.708 Da
  • Monoisotopic mass676.230835 Da
  • ChemSpider ID321753

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(2S,7S,14S)-6,18-Bis(2,4-dihydroxyphenyl)-10,12,22,24-tetrahydroxy-4,16-dimethylpentacyclo[19.3.1.19,13.02,7.014,19]hexacosa-1(25),3,9(26),10,12,15,21,23-octaen-8,20-dion [German] [ACD/IUPAC Name]
(2S,7S,14S)-6,18-Bis(2,4-dihydroxyphenyl)-10,12,22,24-tetrahydroxy-4,16-dimethylpentacyclo[19.3.1.19,13.02,7.014,19]hexacosa-1(25),3,9(26),10,12,15,21,23-octaene-8,20-dione [ACD/IUPAC Name]
(2S,7S,14S)-6,18-Bis(2,4-dihydroxyphényl)-10,12,22,24-tétrahydroxy-4,16-diméthylpentacyclo[19.3.1.19,13.02,7.014,19]hexacosa-1(25),3,9(26),10,12,15,21,23-octaène-8,20-dione [French] [ACD/IUPAC Name]
10H,20H-5,9:15,19-Dimethenodibenzo[a,i]cyclohexadecene-10,20-dione, 1,11-bis(2,4-dihydroxyphenyl)-1,2,4a,10a,11,12,14a,20a-octahydro-6,8,16,18-tetrahydroxy-3,13-dimethyl-, (4aS,10aS,14aS)- [ACD/Index Name]
Brosimone A

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

NSC626483 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 984.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.5±3.0 kJ/mol
Flash Point: 563.1±30.8 °C
Index of Refraction: 1.701
Molar Refractivity: 182.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 4
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 7.46
ACD/BCF (pH 5.5): 274994.13
ACD/KOC (pH 5.5): 269589.03
ACD/LogD (pH 7.4): 6.70
ACD/BCF (pH 7.4): 47118.51
ACD/KOC (pH 7.4): 46192.38
Polar Surface Area: 196 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 472.3±3.0 cm3

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