| SpectraBase Compound ID | BewX7SvSIVr |
|---|---|
| InChI | InChI=1S/C21H32ClNO5/c1-2-3-4-5-6-7-8-9-10-11-18(25)23-16-14-21(27)17(24)13-12-15(22)19(21)28-20(16)26/h10-13,15-16,19-20,26-27H,2-9,14H2,1H3,(H,23,25)/b11-10+/t15-,16+,19+,20-,21-/m1/s1 |
| InChIKey | BQBLZAMUHGIEFL-JRVIZFGFSA-N |
| Mol Weight | 413.9 g/mol |
| Molecular Formula | C21H32ClNO5 |
| Exact Mass | 413.196901 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kbn9se6LVxq |
|---|---|
| Name | ISARIOTIN_F |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32ClNO5 |
| InChI | InChI=1S/C21H32ClNO5/c1-2-3-4-5-6-7-8-9-10-11-18(25)23-16-14-21(27)17(24)13-12-15(22)19(21)28-20(16)26/h10-13,15-16,19-20,26-27H,2-9,14H2,1H3,(H,23,25)/b11-10+/t15-,16+,19+,20-,21-/m1/s1 |
| InChIKey | BQBLZAMUHGIEFL-JRVIZFGFSA-N |
| Literature Reference Author | T.BUNYAPAIBOONSRI,S.YOIPROMMARAT,K.INTEREYA,P.RACHTAWEE,N.L. HYWEL-JONES,M.ISAKA |
| Literature Reference Citation | J.NAT.PROD.,72,756(2009) |
| Literature Reference DOI | 10.1021/np800702c |
| Molecular Weight | 413.942 g/mol |
| Sample ID | 32484 |
| Solvent | ACETONE-D6 |