| SpectraBase Compound ID | 9AiYYbgP1by |
|---|---|
| InChI | InChI=1S/C31H38O12/c1-15-19(35)12-30(28(4,5)39)22(15)23(41-16(2)33)25(37)29(13-32)20(36)11-21-31(14-40-21,43-17(3)34)24(29)26(30)42-27(38)18-9-7-6-8-10-18/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24?,26-,29+,30-,31-/m0/s1 |
| InChIKey | ZYQSVBKXXSAVLN-NEXXSNBDSA-N |
| Mol Weight | 602.6 g/mol |
| Molecular Formula | C31H38O12 |
| Exact Mass | 602.236327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5pvAzEYNm4q |
|---|---|
| Name | TASUMATROL-O |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38O12 |
| InChI | InChI=1S/C31H38O12/c1-15-19(35)12-30(28(4,5)39)22(15)23(41-16(2)33)25(37)29(13-32)20(36)11-21-31(14-40-21,43-17(3)34)24(29)26(30)42-27(38)18-9-7-6-8-10-18/h6-10,19-21,23-24,26,32,35-36,39H,11-14H2,1-5H3/t19-,20-,21+,23+,24?,26-,29+,30-,31-/m0/s1 |
| InChIKey | ZYQSVBKXXSAVLN-NEXXSNBDSA-N |
| Literature Reference Author | Y.C.SHEN,S.M.HSU,Y.S.LIN,K.C.CHENG,C.T.CHIEN,C.H.CHOU,Y.B.CH ENG |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,808(2005) |
| Literature Reference DOI | 10.1248/cpb.53.808 |
| Molecular Weight | 602.636 g/mol |
| Sample ID | 54039 |
| Solvent | CDCl3 |