| SpectraBase Compound ID | JAjOHMr9XpI |
|---|---|
| InChI | InChI=1S/C21H36N8O9/c1-8(30)25-9(3-2-4-22)5-12(32)26-15-17(34)16(33)11(7-37-20(23)36)38-19(15)29-21-27-13-10(31)6-24-18(35)14(13)28-21/h9-11,13-17,19,31,33-34H,2-7,22H2,1H3,(H2,23,36)(H,24,35)(H,25,30)(H,26,32)(H2,27,28,29)/t9-,10+,11-,13+,14-,15-,16+,17+,19-/m0/s1 |
| InChIKey | MYRPVAWPYJQSCI-ATRYLENISA-N |
| Mol Weight | 544.6 g/mol |
| Molecular Formula | C21H36N8O9 |
| Exact Mass | 544.260525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2406Zo2Qak |
|---|---|
| Name | (-)-(2-S,3-S,4-R)-10-DE-O-CARBAMOYL-12-O-CARBAMOYL-N-(BETA)-ACETYLSTREPTOTHRICIN_F |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36N8O9 |
| InChI | InChI=1S/C21H36N8O9/c1-8(30)25-9(3-2-4-22)5-12(32)26-15-17(34)16(33)11(7-37-20(23)36)38-19(15)29-21-27-13-10(31)6-24-18(35)14(13)28-21/h9-11,13-17,19,31,33-34H,2-7,22H2,1H3,(H2,23,36)(H,24,35)(H,25,30)(H,26,32)(H2,27,28,29)/t9-,10+,11-,13+,14-,15-,16+,17+,19-/m0/s1 |
| InChIKey | MYRPVAWPYJQSCI-ATRYLENISA-N |
| Literature Reference Author | M.GAN,X.ZHENG,L.GAN,Y.GUAN,X.HAO,Y.LIU,S.SI,Y.ZHANG,L.YU,C.X IAO |
| Literature Reference Citation | J.NAT.PROD.,74,1142(2011) |
| Literature Reference DOI | 10.1021/np2000733 |
| Molecular Weight | 544.565 g/mol |
| Sample ID | 38194 |
| Solvent | D2O |