| SpectraBase Compound ID | Hsa1XBZFetO |
|---|---|
| InChI | InChI=1S/C30H55NO10/c1-12-21-30(8,37)25(35)17(4)22(32)15(2)14-29(7,38-11)26(18(5)23(33)19(6)27(36)40-21)41-28-24(34)20(31(9)10)13-16(3)39-28/h15-21,23-26,28,33-35,37H,12-14H2,1-11H3/t15-,16-,17+,18+,19-,20+,21-,23+,24-,25-,26-,28+,29+,30-/m1/s1 |
| InChIKey | QTLYNHBYTKOXTE-NNZGACOVSA-N |
| Mol Weight | 589.8 g/mol |
| Molecular Formula | C30H55NO10 |
| Exact Mass | 589.382597 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8A1UFbuUBAs |
|---|---|
| Name | QTLYNHBYTKOXTE-NNZGACOVSA-N |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H55NO10 |
| InChI | InChI=1S/C30H55NO10/c1-12-21-30(8,37)25(35)17(4)22(32)15(2)14-29(7,38-11)26(18(5)23(33)19(6)27(36)40-21)41-28-24(34)20(31(9)10)13-16(3)39-28/h15-21,23-26,28,33-35,37H,12-14H2,1-11H3/t15-,16-,17+,18+,19-,20+,21-,23+,24-,25-,26-,28+,29+,30-/m1/s1 |
| InChIKey | QTLYNHBYTKOXTE-NNZGACOVSA-N |
| Literature Reference Author | T.TANIKAWA,T.ASAKA,M.KASHIMURA,Y.MISAWA,K.SUZUKI,M.SATO,K.KA MEO,S.MORIMOTO,A.NIS |
| Literature Reference Citation | J.MED.CHEM.,44,4027(2001) |
| Literature Reference DOI | 10.1021/jm015566s |
| Molecular Weight | 589.767 g/mol |
| Sample ID | 45168 |
| Solvent | CDCl3 |