| SpectraBase Compound ID | 3TiZNsEE7al |
|---|---|
| InChI | InChI=1S/C23H31N5O12S/c1-8-6-41-7-9(19(34)25-8)26-20(35)11-5-10(29)13(31)22(38-11)40-17(18(24)33)16-15(37-2)14(32)21(39-16)28-4-3-12(30)27-23(28)36/h3-5,8-10,13-17,21-22,29,31-32H,6-7H2,1-2H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t8-,9+,10+,13+,14-,15+,16+,17+,21-,22-/m0/s1 |
| InChIKey | CZGXONQQLSSPKM-ZPUMMHIWSA-N |
| Mol Weight | 601.58 g/mol |
| Molecular Formula | C23H31N5O12S |
| Exact Mass | 601.168993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Mu9vNf14Aq |
|---|---|
| Name | A-500359-M-2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H31N5O12S |
| InChI | InChI=1S/C23H31N5O12S/c1-8-6-41-7-9(19(34)25-8)26-20(35)11-5-10(29)13(31)22(38-11)40-17(18(24)33)16-15(37-2)14(32)21(39-16)28-4-3-12(30)27-23(28)36/h3-5,8-10,13-17,21-22,29,31-32H,6-7H2,1-2H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t8-,9+,10+,13+,14-,15+,16+,17+,21-,22-/m0/s1 |
| InChIKey | CZGXONQQLSSPKM-ZPUMMHIWSA-N |
| Literature Reference Author | Y.MURAMATSU,S.MIYAKOSHI,Y.OGAWA,T.OHNUKI,M.M.ISHII,M.ARAI,T. TAKATSU,M.INUKAI |
| Literature Reference Citation | J.ANTIBIOTICS,56,259(2003) |
| Literature Reference DOI | 10.7164/antibiotics.56.259 |
| Molecular Weight | 601.585 g/mol |
| Solvent | D2O |
| Source File Reference | UWSI7518 |