| SpectraBase Compound ID | 3brENzBA6vl |
|---|---|
| InChI | InChI=1S/C31H39NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h3,9,15-16,19-23,26,36-37H,4-8,10-14H2,1-2H3,(H,32,34)/t16-,19-,20+,21-,22?,23-,26+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PNKMHTIJBXNGLP-OHUVDJEFSA-N |
| Mol Weight | 601.7 g/mol |
| Molecular Formula | C31H39NO9S |
| Exact Mass | 601.234553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5ddV4THnzow |
|---|---|
| Name | DELTA-(5)-CALOTROPIN-(3'S)-3'-THIAZOLIDINONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H39NO9S |
| InChI | InChI=1S/C31H39NO9S/c1-16-11-30(32-24(34)14-42-30)31(37)26(39-16)40-22-10-18-3-4-21-20(28(18,15-33)12-23(22)41-31)5-7-27(2)19(6-8-29(21,27)36)17-9-25(35)38-13-17/h3,9,15-16,19-23,26,36-37H,4-8,10-14H2,1-2H3,(H,32,34)/t16-,19-,20+,21-,22?,23-,26+,27-,28-,29+,30+,31-/m0/s1 |
| InChIKey | PNKMHTIJBXNGLP-OHUVDJEFSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,991(2000) |
| Literature Reference DOI | 10.1248/cpb.48.991 |
| Molecular Weight | 601.712 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4336 |