Found 5 results

Search term: MF = 'C_{33}H_{26}O_{13}'
ChemSpider 2D Image | (2R,2'R,3aR,3a'R,11bR,11b'R)-6,6',7,7'-Tetrahydroxy-9'-methoxy-2,2'-dimethyl-3a,3a',11b,11b'-tetrahydro-2H,2'H-8,8'-bibenzo[g]furo[3,2-c]isochromene-5,5',9,10(3H,3'H)-tetrone | C33H26O13

(2R,2'R,3aR,3a'R,11bR,11b'R)-6,6',7,7'-Tetrahydroxy-9'-methoxy-2,2'-dimethyl-3a,3a',11b,11b'-tetrahydro-2H,2'H-8,8'-bibenzo[g]furo[3,2-c]isochromene-5,5',9,10(3H,3'H)-tetrone

  • Molecular FormulaC33H26O13
  • Average mass630.552 Da
  • Monoisotopic mass630.137329 Da
  • ChemSpider ID9867774

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,2'R,3aR,3a'R,11bR,11b'R)-6,6',7,7'-Tetrahydroxy-9'-methoxy-2,2'-dimethyl-3a,3a',11b,11b'-tetrahydro-2H,2'H-8,8'-bibenzo[g]furo[3,2-c]isochromen-5,5',9,10(3H,3'H)-tetron [German] [ACD/IUPAC Name]
(2R,2'R,3aR,3a'R,11bR,11b'R)-6,6',7,7'-Tetrahydroxy-9'-methoxy-2,2'-dimethyl-3a,3a',11b,11b'-tetrahydro-2H,2'H-8,8'-bibenzo[g]furo[3,2-c]isochromene-5,5',9,10(3H,3'H)-tetrone [ACD/IUPAC Name]
(2R,2'R,3aR,3a'R,11bR,11b'R)-6,6',7,7'-Tétrahydroxy-9'-méthoxy-2,2'-diméthyl-3a,3a',11b,11b'-tétrahydro-2H,2'H-8,8'-bibenzo[g]furo[3,2-c]isochromène-5,5',9,10(3H,3'H)-tétrone [French] [ACD/IUPAC Name]
[8,8'-Bi-2H-furo[3,2-b]naphtho[2,3-d]pyran]-5,5',9,10(3H,3'H)-tetrone, 3a,3'a,11b,11'b-tetrahydro-6,6',7,7'-tetrahydroxy-9'-methoxy-2,2'-dimethyl-, (2R,2'R,3aR,3a'R,11bR,11b'R)- [ACD/Index Name]
Lichenicolin B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 960.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 315.7±27.8 °C
Index of Refraction: 1.715
Molar Refractivity: 154.1±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 392.4±3.0 cm3

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