O-Methyl nogalarol supplier | CasNO.62421-98-1

Name
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
EINECS
CAS No. 62421-98-1
Density 1.59g/cm³
Solubility
Melting Point
Formula C₃₀H₃₃NO₁₂
Boiling Point 851.8°C at 760 mmHg
Molecular Weight 599.64
Flash Point 468.9°C
Transport Information
Appearance
Safety Human mutation data reported. When heated to decomposition it emits toxic fumes of NO_x.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

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 NO_x.

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)- .

Product Name

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

O-Methyl nogalarol Chemical Properties

O-Methyl nogalarol Toxicity Data With Reference

O-Methyl nogalarol Safety Profile

O-Methyl nogalarol Specification

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