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2(S),11(R),11a(S)-2,8-DIHYDROXY-7,11-DIMETHOXY-1,2,3,10,11,11a-HEXAHYDRO-5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-5-ONE
SpectraBase Compound ID 3CJx7RfaDKa
InChI InChI=1S/C14H18N2O5/c1-20-12-4-8-9(5-11(12)18)15-13(21-2)10-3-7(17)6-16(10)14(8)19/h4-5,7,10,13,15,17-18H,3,6H2,1-2H3/t7-,10-,13+/m0/s1
InChIKey FDZKMDGYTVIWIB-LCWDIZFYSA-N
Mol Weight 294.31 g/mol
Molecular Formula C14H18N2O5
Exact Mass 294.121572 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8sugKnhUIPh
Name 2(S),11(R),11a(S)-2,8-DIHYDROXY-7,11-DIMETHOXY-1,2,3,10,11,11a-HEXAHYDRO-5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-5-ONE
Source of Sample M. Konishi, Bristol-Banyo Research Institute, Ltd., Tokyo, Japan
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O5
InChI InChI=1S/C14H18N2O5/c1-20-12-4-8-9(5-11(12)18)15-13(21-2)10-3-7(17)6-16(10)14(8)19/h4-5,7,10,13,15,17-18H,3,6H2,1-2H3/t7-,10-,13+/m0/s1
InChIKey FDZKMDGYTVIWIB-LCWDIZFYSA-N
Literature Reference J. ANTIBIOTICS, TOKYO 37, 191(1984) Abstract-Chemical Abstracts= 101, 68945W(1984)
Melting Point 161-163C (dec.)
Molecular Weight 294.307007
Optical Properties Optical Rotation= (26C) +350 DEG (c=0.5, PYRIDINE)
Synonyms CHICAMYCIN A 5H-PYRROLO/2,1-C//1,4/BENZODIAZEPIN- 5-ONE, 2,8-DIHYDROXY-7,11-DIMETHOXY- 1,2,3,10,11,11A-HEXAHYDRO-, 2/S/,11/R/,11A/S/-,
Technique KBr WAFER