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O-Methyl nogalarol

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Name

O-Methyl nogalarol

EINECS N/A
CAS No. 62421-98-1 Density 1.59g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C30H33NO12 Boiling Point 851.8°C at 760 mmHg
Molecular Weight 599.64 Flash Point 468.9°C
Transport Information N/A Appearance N/A
Safety Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Risk Codes N/A
Molecular Structure Molecular Structure of 62421-98-1 (methyl (2R,3R,4R,5S,6R,11R,13R,14S)-4-(dimethylamino)-3,5,10,11,13-pentahydroxy-8-methoxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate) Hazard Symbols N/A
Synonyms

N/A

 

O-Methyl nogalarol Chemical Properties

Product Name: O-Methyl nogalarol (CAS NO.62421-98-1)


Molecular Formula: C30H33NO12
Molecular Weight: 599.64g/mol
Mol File: 62421-98-1.mol
Boiling point: 851.8 °C at 760 mmHg
Flash Point: 468.9 °C
Density: 1.59 g/cm3
Surface Tension: 89.7 dyne/cm
Enthalpy of Vaporization: 129.71 kJ/mol
Vapour Pressure: 7.16E-31 mmHg at 25°C
XLogP3-AA: 0.7
H-Bond Donor: 5
H-Bond Acceptor: 13
Structure Descriptors of O-Methyl nogalarol (CAS NO.62421-98-1):
  Canonical SMILES: CC1(CC(C2=C(C1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=C5C(=C4C3=O)OC6C(C(C(C5(O6)C)O)N(C)C)O)OC)O)O
  Isomeric SMILES: C[C@]1(C[C@H](C2=C([C@@H]1C(=O)OC)C=C3C(=C2O)C(=O)C4=C(C=C5C(=C4C3=O)O[C@H]6[C@@H]([C@@H]([C@@H]([C@@]5(O6)C)O)N(C)C)O)OC)O)O
  InChI: InChI=1S/C30H33NO12/c1-29(39)9-13(32)15-10(19(29)27(38)41-6)7-11-16(22(15)34)23(35)17-14(40-5)8-12-25(18(17)21(11)33)42-28-24(36)20(31(3)4)26(37)30(12,2)43-28/h7-8,13,19-20,24,26,28,32,34,36-37,39H,9H2,1-6H3/t13-,19-,20+,24-,26+,28-,29-,30-/m1/s1 
  InChIKey: FPRLSOWAIWHLNX-QNLVAMJLSA-N

O-Methyl nogalarol Toxicity Data With Reference

1.    

dni-hmn:oth 850 nmol/L

    HXPHAU    Handbuch der Experimentellen Pharmakologie. 38 (Pt 2),(1975),623.
2.    

dnd-mam:lym 12 µmol/L

    CBINA8    Chemico-Biological Interactions. 36 (1981),1.

O-Methyl nogalarol Safety Profile

Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx.

O-Methyl nogalarol Specification

 O-Methyl nogalarol , its CAS NO. is 62421-98-1, the synonyms are  7-O-Methyl nogalarol ; 2,6-Epoxy-2H-naphthaceno(1,2-b)oxocin-14-carboxylic acid, 4-(dimethylamino)-3,4,5,6,9,11,12,13,14,16-decahydro-6,13-dimethyl-9,16-dioxo-8-methoxy-3,5,10,11,13-pentahydroxy-, methyl ester, (2-alpha,3-beta,4-alpha,5-beta,6-alpha,11-beta,13-alpha,14-alpha)- .

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