For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE]

Compound with spectra: 1 NMR, and 1 MS (GC)

1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE]
SpectraBase Compound ID FLh4nSVTfRD
InChI InChI=1S/C31H32N4O8/c1-16-8-22-28(36)32-20-12-26(24(40-3)10-18(20)30(38)34(22)14-16)42-6-5-7-43-27-13-21-19(11-25(27)41-4)31(39)35-15-17(2)9-23(35)29(37)33-21/h10-13,22-23H,1-2,5-9,14-15H2,3-4H3,(H,32,36)(H,33,37)/t22-,23-/m0/s1
InChIKey OECLPMNVJYLQFN-GOTSBHOMSA-N
Mol Weight 588.6 g/mol
Molecular Formula C31H32N4O8
Exact Mass 588.222014 g/mol
Enantiomer InChIKey OECLPMNVJYLQFN-DHIUTWEWSA-N

View Spectrum of 1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE]

MS (GC) Spectrum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum F2-44-745-21

View Spectrum of 1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-(11A-S)-7-METHOXY-2-METHYLIDENE-1,2,3,10,11,11A-HEXAHYDRO-5H-PYRROLO-[2,1-C]-[1,4]-BENZODIAZEPIN-5,11-DIONE]

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • 1,1'-[[(Propane-1,3-diyl)dioxy]bis[(11aS)-7-methyloxy-2-methylidene-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5,11-dione]
1,3-quinazolinediacetamide, N~1~-(5-chloro-2,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,4-dioxo-N~3~-(2-phenylethyl)-
LIMAZEPINE_A
LIMAZEPINE-A
benzamide, 4-[(6-[[2-(diethylamino)-2-oxoethyl]thio]-8-oxo[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-
(11aS)-7-(3-Trifluoromethylphenyl)-10-methyl-2,3-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11-(10H,11aH)-dione
2,4(1H,3H)-quinazolinedione, 1-[(4-chlorophenyl)methyl]-3-ethyl-6,7-dimethoxy-
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
[1,3]dioxolo[4,5-g]quinazolin-8(7H)-one, 6-[[(2-chloro-6-fluorophenyl)methyl]thio]-7-[2-(1-cyclohexen-1-yl)ethyl]-
4-(6-chloro-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-cyclopentylbutanamide
ethyl 4-{[(3-(3,5-dimethoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)acetyl]amino}benzoate
Title Journal or Book Year
Design, Synthesis, and Evaluation of a Novel Pyrrolobenzodiazepine DNA-Interactive Agent with Highly Efficient Cross-Linking Ability and Potent Cytotoxicity Journal of Medicinal Chemistry 2001
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.