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#18;(2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-ALLYLOXYCARBONYLAMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]

Compound with spectra: 1 NMR

#18;(2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-ALLYLOXYCARBONYLAMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]
SpectraBase Compound ID ETAhKxqn0LA
InChI InChI=1S/2C39H48N4O12/c2*1-7-10-54-38(48)40-30-18-34(32(50-5)16-28(30)36(46)42-20-24(3)14-26(42)22-44)52-12-9-13-53-35-19-31(41-39(49)55-11-8-2)29(17-33(35)51-6)37(47)43-21-25(4)15-27(43)23-45/h2*7-8,16-19,26-27,44-45H,1-4,9-15,20-23H2,5-6H3,(H,40,48)(H,41,49)/t2*26-,27-/m00/s1
InChIKey HYSATGDZSMQHPN-ZTPOYIBPSA-N
Mol Weight 1529.7 g/mol
Molecular Formula C78H96N8O24
Exact Mass 1528.653746 g/mol
Enantiomer InChIKey HYSATGDZSMQHPN-MQSFZEHASA-N

View Spectrum of #18;(2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-ALLYLOXYCARBONYLAMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
6,7-dimethoxy-3-(tetrahydro-2-furanylmethyl)-2,4(1H,3H)-quinazolinedione
N-(4-Benzyloxypropoxy)-5-methoxy-2-nitrobenzoyl)-pyrrolidin-2-carbaldehyde Diethyl Thioacetal
6,7-Dimethoxy-3-(3,4-dimethoxyphenethyl)quinazoline-2,4(1H,3H)-dione
N-[4-(2'-Methoxycarbonylethoxy)-5-methoxy-2-nitrobenzoyl]-pyrrolidin-2-carbaldehyde Diethyl Thioacetal
3-(2-chlorobenzyl)-6,7-dimethoxy-2,4(1H,3H)-quinazolinedione
[1,3]dioxolo[4,5-g]quinazoline-7-butanamide, 5,6,7,8-tetrahydro-8-oxo-N-[1-(phenylmethyl)-4-piperidinyl]-6-thioxo-
[1,3]dioxolo[4,5-g]quinazoline-7-butanamide, N-[2-(2-chlorophenyl)ethyl]-5,6,7,8-tetrahydro-8-oxo-6-thioxo-
Methyl (2S)-N-(4-Benzyloxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxylate
[1,3]dioxolo[4,5-g]quinazoline-7-butanamide, N-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-8-oxo-6-thioxo-
[1,3]dioxolo[4,5-g]quinazoline-7-hexanamide, 5,6,7,8-tetrahydro-8-oxo-N-(2-phenylethyl)-6-thioxo-
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
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