| SpectraBase Compound ID | 9UKcQeLbnV2 |
|---|---|
| InChI | InChI=1S/C22H33N5O13/c1-25-6-7(28)10(20(35)36)26(2)18(34)11(25)16(40-21-15(33)12(30)8(5-23)38-21)17-13(31)14(32)19(39-17)27-4-3-9(29)24-22(27)37/h3-4,7-8,10-17,19,21,28,30-33H,5-6,23H2,1-2H3,(H,35,36)(H,24,29,37)/t7-,8+,10-,11-,12+,13-,14+,15+,16+,17-,19+,21-/m1/s1 |
| InChIKey | MSVZOGHTXZMFOH-DMYGJTLCSA-N |
| Mol Weight | 575.5 g/mol |
| Molecular Formula | C22H33N5O13 |
| Exact Mass | 575.207486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AXJoF2Uk7vD |
|---|---|
| Name | CAPRAZOL |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33N5O13 |
| InChI | InChI=1S/C22H33N5O13/c1-25-6-7(28)10(20(35)36)26(2)18(34)11(25)16(40-21-15(33)12(30)8(5-23)38-21)17-13(31)14(32)19(39-17)27-4-3-9(29)24-22(27)37/h3-4,7-8,10-17,19,21,28,30-33H,5-6,23H2,1-2H3,(H,35,36)(H,24,29,37)/t7-,8+,10-,11-,12+,13-,14+,15+,16+,17-,19+,21-/m1/s1 |
| InChIKey | MSVZOGHTXZMFOH-DMYGJTLCSA-N |
| Literature Reference Author | M.IGARASHI,Y.TAKAHASHI,T.SHITARA,H.NAKAMURA,H.NAGANAWA,T.MIY AKE,Y.AKAMATSU |
| Literature Reference Citation | J.ANTIBIOTICS,58,327(2005) |
| Literature Reference DOI | 10.1038/ja.2005.41 |
| Molecular Weight | 575.530 g/mol |
| Sample ID | 55 |
| Solvent | D2O |