CAS No.6877-32-3,Corynoxine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6877-32-3
Name:	Corynoxine
Article Data:	7

Formula:	C₂₂H₂₈N₂O₄
Molecular Weight:	384.475
Synonyms:	Methyl (16E)-16-(methoxymethylene)-2-oxocorynoxan-17-oate;Corynoxine(6CI,8CI);Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-acetic acid,6'-ethyl-1,2,2',3',6',7',8',8'α-octahydro-α-(methoxymethylene)-2-oxo-, methyl ester, [1'S-[1'a,6'b,7'b(E),8'aa]]-;Spiro[3H-indole-3,1'(5'H)-indolizine]-7'-aceticacid, 6'-ethyl-1,2,2',3',6',7',8',8'a-octahydro-α-(methoxymethylene)-2-oxo-, methyl ester, (αE,1'S,6'S,7'S,8'αS)-;
EINECS:	211-708-6
Density:	1.239 g/cm³
Melting Point:	166-168oC
Boiling Point:	560.813 °C at 760 mmHg
Flash Point:	292.97 °C
PSA:	67.87000
LogP:	2.77610

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Specification

The Corynoxan-16-carboxylicacid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (16E)-, with the CAS registry number 6877-73-2, is also known as Corynoxine(6CI,8CI). This chemical's molecular formula is C₂₂H₂₈N₂O₄ and formula weight is 384.473. What's more, its systematic name is methyl (16E)-16-(methoxymethylidene)-2-oxocorynoxan-17-oate.

Physical properties of Corynoxan-16-carboxylicacid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (16E)- are: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 14; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 113; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 67.87 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 105.58 cm³; (15)Molar Volume: 310.236 cm³; (16)Surface Tension: 52.261 dyne/cm; (17)Density: 1.239 g/cm³; (18)Flash Point: 292.97 °C; (19)Enthalpy of Vaporization: 84.349 kJ/mol; (20)Boiling Point: 560.813 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

Uses of Corynoxan-16-carboxylicacid, 16,17-didehydro-17-methoxy-2-oxo-, methyl ester, (16E)-: it can be used to produce isorhynchophylline N-oxide at the temperature of 0 - 20°C. It will need reagent mCPBA and solvent CH₂Cl₂ with the reaction time of 40 min. It's a reaction of oxidation. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2Nc1ccccc1[C@@]24[C@H]3N(C[C@H]([C@@H](C(=C\OC)/C(=O)OC)C3)CC)CC4
(2)InChI: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22+/m1/s1
(3)InChIKey: DAXYUDFNWXHGBE-NRAMRBJXSA-N