cephaeline, dihydrochloride, heptahydrate

SpectraBase Compound ID	LPGGtXaf4Lt
InChI	InChI=1S/C28H38N2O4.2ClH.7H2O/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;;;;;;;;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;21H;71H2/t17-,20-,23+,24-;;;;;;;;;/m0........./s1
InChIKey	DFAXGZYTCIFHEW-PUJYRUHLSA-N Google Search
Mol Weight	665.649 g/mol
Molecular Formula	C28H54Cl2N2O11
Exact Mass	664.310466 g/mol

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SpectraBase Spectrum ID	IoKKO2aSKBt
Name	CEPHAELINE, DIHYDROCHLORIDE, HEPTAHYDRATE
Source of Sample	Fluka Chemie AG, Buchs, Switzerland
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C28H54Cl2N2O11
InChI	InChI=1S/C28H38N2O4.2ClH.7H2O/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;;;;;;;;;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;21H;71H2/t17-,20-,23+,24-;;;;;;;;;/m0........./s1
InChIKey	DFAXGZYTCIFHEW-PUJYRUHLSA-N
Melting Point	115-116C
Molecular Weight	665.643005
Optical Properties	Optical Rotation= (20C) -43.4 DEG (c=2, CHLOROFORM)
Synonyms	CEPHAELINE, DIHYDROCHLORIDE, HEPTAHYDRATE, /MINUS/-, 6-ISOQUINOLINOL, 1-//9,10-DIMETHOXY- 3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-2H- BENZO/A/QUINOLIZIN-2-YL/METHYL/-7- METHOXY-1,2,3,4-TETRAHYDRO-, DIHYDRO- CHLORIDE, HEPTAHYDRATE, /MINUS/-,
Technique	KBr WAFER