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Basic Information
CAS No.: 33390-21-5
Name: bikaverin
Article Data: 8
Molecular Structure:
Molecular Structure of 33390-21-5 (bikaverin)
Formula: C20H14 O8
Molecular Weight: 382.326
Synonyms: Bikaverin;Lycopersin; NSC 215139
Density: 1.61g/cm3
Melting Point: >322℃
Boiling Point: 719.8°Cat760mmHg
Flash Point: 263.3°C
Hazard Symbols: T
Risk Codes: 25
Safety: Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 123.27000
LogP: 2.58370
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Chemistry

Molecule structure of Lycopersin (CAS NO.33390-21-5) :

IUPAC Name: 6,11-dihydroxy-3,8-dimethoxy-1-methylbenzo[b]xanthene-7,10,12-trione 
Molecular Weight: 382.32036 g/mol
Molecular Formula: C20H14O8 
Density: 1.61 g/cm3 
Boiling Point: 719.8 °C at 760 mmHg 
Flash Point: 263.3 °C
Index of Refraction: 1.711
Molar Refractivity: 92.69 cm3
Molar Volume: 236.7 cm3
Polarizability: 36.74×10-24 cm3
Surface Tension: 85 dyne/cm 
Enthalpy of Vaporization: 108.91 kJ/mol
Vapour Pressure: 2.07E-21 mmHg at 25 °C
XLogP3-AA: 3.4
H-Bond Donor: 2
H-Bond Acceptor: 8
Rotatable Bond Count: 2
Tautomer Count: 14
Exact Mass: 382.068867
MonoIsotopic Mass: 382.068867
Topological Polar Surface Area: 119
Heavy Atom Count: 28
Complexity: 730
Canonical SMILES: CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=C4C(=C3O)C(=O)C=C(C4=O)OC)O)OC
InChI: InChI=1S/C20H14O8/c1-7-4-8(26-2)5-10-12(7)17(23)15-18(24)13-9(21)6-11(27-3)16(22)14(13)19(25)20(15)28-10/h4-6,24-25H,1-3H3
InChIKey of Lycopersin (CAS NO.33390-21-5) : ZOQMSOSJEWBMHP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

dni-mus:ast 500 µg/L

     NEOLA4    Neoplasma. 22 (1975),335.
2.    

dni-mus:leu 1400 µg/L

     NEOLA4    Neoplasma. 22 (1975),335.

Safety Profile

Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

 Lycopersin (CAS NO.33390-21-5) is also called 5-18-05-00692 (Beilstein Handbook Reference) ; 6,11-Dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo(b)xanthene-7,10,12-trione ; BRN 0358013 ; Bikaverin ; NSC 215139 ; 10H-Benzo(b)xanthene-7,10,12-trione, 6,11-dihydroxy-3,8-dimethoxy-1-methyl- ; 7,10-Dihydro-6,11-dihydroxy-3,8-dimethoxy-1-methyl-12H-benzo(b)xanthene-7,10,12-trione .