| SpectraBase Compound ID | JLaMx7f80cJ |
|---|---|
| InChI | InChI=1S/C21H31NO7/c1-2-3-5-8-12(23)9-6-4-7-10-14(24)22-13-11-21(28)19(27)15(16(13)25)17(26)18-20(21)29-18/h7,10,13,15-18,20,25-26,28H,2-6,8-9,11H2,1H3,(H,22,24)/b10-7+/t13-,15-,16-,17-,18-,20-,21+/m0/s1 |
| InChIKey | BDPGWFYYYPWIAE-YPPQQAOGSA-N |
| Mol Weight | 409.48 g/mol |
| Molecular Formula | C21H31NO7 |
| Exact Mass | 409.210052 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RUBhFPfbTy |
|---|---|
| Name | ISARIOTIN_C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31NO7 |
| InChI | InChI=1S/C21H31NO7/c1-2-3-5-8-12(23)9-6-4-7-10-14(24)22-13-11-21(28)19(27)15(16(13)25)17(26)18-20(21)29-18/h7,10,13,15-18,20,25-26,28H,2-6,8-9,11H2,1H3,(H,22,24)/b10-7+/t13-,15-,16-,17-,18-,20-,21+/m0/s1 |
| InChIKey | BDPGWFYYYPWIAE-YPPQQAOGSA-N |
| Literature Reference Author | R.HARITAKUN,P.SRIKITIKULCHAI,P.KHOYAIKLANG,M.ISAKA |
| Literature Reference Citation | J.NAT.PROD.,70,1478(2007) |
| Literature Reference DOI | 10.1021/np070291q |
| Molecular Weight | 409.480 g/mol |
| Sample ID | 31548 |
| Solvent | ACETONE-D6 |