![BENZYL-[4-NITROPHENYL-2-[(ETOPOSIDE-4'-O-CARBONYL)-METHYLAMINO]-BETA-D-GLUCOPYRANOSID]-URONATE](/api/spectrum/13aG0NwYHkr/structure.png?h=300&w=458 "BENZYL-[4-NITROPHENYL-2-[(ETOPOSIDE-4'-O-CARBONYL)-METHYLAMINO]-BETA-D-GLUCOPYRANOSID]-URONATE")
| SpectraBase Compound ID | 7dBKkKnMEV5 |
|---|---|
| InChI | InChI=1S/C50H52N2O23/c1-21-65-19-34-44(70-21)39(55)41(57)49(72-34)73-42-26-16-31-30(68-20-69-31)15-25(26)35(36-27(42)18-67-46(36)58)23-12-32(63-3)43(33(13-23)64-4)75-50(60)51(2)28-14-24(52(61)62)10-11-29(28)71-48-40(56)37(53)38(54)45(74-48)47(59)66-17-22-8-6-5-7-9-22/h5-16,21,27,34-42,44-45,48-49,53-57H,17-20H2,1-4H3/t21-,27+,34-,35-,36+,37-,38-,39-,40+,41-,42-,44-,45-,48+,49+/m0/s1 |
| InChIKey | ZAZJRUPKVRNWII-MKBOZKINSA-N |
| Mol Weight | 1049.0 g/mol |
| Molecular Formula | C50H52N2O23 |
| Exact Mass | 1048.296086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 13aG0NwYHkr |
|---|---|
| Name | BENZYL-[4-NITROPHENYL-2-[(ETOPOSIDE-4'-O-CARBONYL)-METHYLAMINO]-BETA-D-GLUCOPYRANOSID]-URONATE |
| Compound Number | 1 0 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H52N2O23 |
| InChI | InChI=1S/C50H52N2O23/c1-21-65-19-34-44(70-21)39(55)41(57)49(72-34)73-42-26-16-31-30(68-20-69-31)15-25(26)35(36-27(42)18-67-46(36)58)23-12-32(63-3)43(33(13-23)64-4)75-50(60)51(2)28-14-24(52(61)62)10-11-29(28)71-48-40(56)37(53)38(54)45(74-48)47(59)66-17-22-8-6-5-7-9-22/h5-16,21,27,34-42,44-45,48-49,53-57H,17-20H2,1-4H3/t21-,27+,34-,35-,36+,37-,38-,39-,40+,41-,42-,44-,45-,48+,49+/m0/s1 |
| InChIKey | ZAZJRUPKVRNWII-MKBOZKINSA-N |
| Literature Reference Author | F.SCHMIDT,C.MONNERET |
| Literature Reference Citation | BIOORG.MED.CHEM.,11,2277(2003) |
| Literature Reference DOI | 10.1016/S0968-0896(03)00108-1 |
| Molecular Weight | 1048.962 g/mol |
| Sample ID | 29304 |
| Solvent | CDCl3 |