| SpectraBase Compound ID | 7qtNEmc5vDP |
|---|---|
| InChI | InChI=1S/C25H46N10O9/c26-5-1-3-11(27)7-15(37)30-6-2-4-12(28)8-16(38)32-19-21(40)20(39)14(10-43-24(29)42)44-23(19)35-25-33-17-13(36)9-31-22(41)18(17)34-25/h11-14,17-21,23,36,39-40H,1-10,26-28H2,(H2,29,42)(H,30,37)(H,31,41)(H,32,38)(H2,33,34,35)/t11-,12-,13+,14-,17+,18-,19-,20+,21+,23-/m0/s1 |
| InChIKey | TWWOHQBJOSKKBN-UCFIJCSYSA-N |
| Mol Weight | 630.7 g/mol |
| Molecular Formula | C25H46N10O9 |
| Exact Mass | 630.344923 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYjGi2azrkz |
|---|---|
| Name | (-)-(2-S,3-S,4-R)-10-DE-O-CARBAMOYL-12-O-CARBAMOYLATREPTOTHRICIN_E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H46N10O9 |
| InChI | InChI=1S/C25H46N10O9/c26-5-1-3-11(27)7-15(37)30-6-2-4-12(28)8-16(38)32-19-21(40)20(39)14(10-43-24(29)42)44-23(19)35-25-33-17-13(36)9-31-22(41)18(17)34-25/h11-14,17-21,23,36,39-40H,1-10,26-28H2,(H2,29,42)(H,30,37)(H,31,41)(H,32,38)(H2,33,34,35)/t11-,12-,13+,14-,17+,18-,19-,20+,21+,23-/m0/s1 |
| InChIKey | TWWOHQBJOSKKBN-UCFIJCSYSA-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 | 630.702 g/mol |
| Sample ID | 38198 |
| Solvent | D2O |