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[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol,5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, (5bR,6S,12bR)- (18797-79-0)

Identification
Name:[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol,5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, (5bR,6S,12bR)-
Synonyms:Chelidonine,13-methyl-;Corynoline (7CI,8CI);[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine, chelidonine deriv.;(+)-Corynoline;[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol,5b,6,7,12b,13,14-hexahydro-5b,13-dimethyl-, [5bR-(5ba,6b,12ba)]-;
CAS:18797-79-0
Molecular Formula: C21H21NO5
Molecular Weight: 367.39514
InChI: InChI=1S/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1
Molecular Structure: (C21H21NO5) Chelidonine,13-methyl-;Corynoline (7CI,8CI);[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin...
Properties
Melting Point: 217-218ºC
Density:1.396 g/cm3
Refractive index:1.659
Specification:

The Corynoline, with the CAS registry number 18797-79-0, is also known as Chelidonine,13-methyl-. This chemical's molecular formula is C21H21NO5 and molecular weight is 367.39. What's more, its systematic name is called 13-Methylchelidonine.

Physical properties about Corynoline are: (1) ACD/LogP: 3.23; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.2; (4) ACD/LogD (pH 7.4): 3.18; (5) ACD/BCF (pH 5.5): 15.66; (6) ACD/BCF (pH 7.4): 149.72; (7) ACD/KOC (pH 5.5): 127; (8) ACD/KOC (pH 7.4): 1214.18; (9) #H bond acceptors: 6; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 49.39 Å2; (13) Index of Refraction: 1.659; (14) Molar Refractivity: 97.09 cm3; (15) Molar Volume: 263.1 cm3; (16) Surface Tension: 57.9 dyne/cm; (17) Density: 1.395 g/cm3; (18) Flash Point: 258.7 °C; (19) Enthalpy of Vaporization: 81.46 kJ/mol; (20) Boiling Point: 504.2 °C at 760 mmHg; (21) Vapour Pressure: 5.48E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1c2c(OC1)c3c(cc2)[C@@]5([C@H](N(C3)C)c4cc6OCOc6cc4C[C@@H]5O)C
(2) InChI: InChI=1/C21H21NO5/c1-21-14-3-4-15-19(27-10-24-15)13(14)8-22(2)20(21)12-7-17-16(25-9-26-17)5-11(12)6-18(21)23/h3-5,7,18,20,23H,6,8-10H2,1-2H3/t18-,20+,21-/m0/s1
(3) InChIKey: IQUGPRHKZNCHGC-TYPHKJRUBF

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