| SpectraBase Compound ID | 4fBXRQ6wYIn |
|---|---|
| InChI | InChI=1S/C38H52O11/c1-8-9-10-11-12-13-14-15-16-17-18-19-35-45-31-27-30-34(21-39,44-30)32-38(47-33(7,42)46-32)26(20-23(4)28(38)41)37(27,49-35)24(5)29(43-25(6)40)36(31,48-35)22(2)3/h16-20,24,26-27,29-32,39,42H,2,8-15,21H2,1,3-7H3/b17-16+,19-18+/t24-,26?,27+,29+,30?,31-,32?,33?,34?,35-,36+,37+,38?/m0/s1 |
| InChIKey | XMFYGTCNCCVDGI-UONSSYDISA-N |
| Mol Weight | 684.8 g/mol |
| Molecular Formula | C38H52O11 |
| Exact Mass | 684.350962 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6oEWjQPySPc |
|---|---|
| Name | Wikstrotoxin C |
| Comments | SHIFT OF 44 PPM REPORTED FOR C12 MUST BE IN ERROR |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C38H52O11 |
| InChI | InChI=1S/C38H52O11/c1-8-9-10-11-12-13-14-15-16-17-18-19-35-45-31-27-30-34(21-39,44-30)32-38(47-33(7,42)46-32)26(20-23(4)28(38)41)37(27,49-35)24(5)29(43-25(6)40)36(31,48-35)22(2)3/h16-20,24,26-27,29-32,39,42H,2,8-15,21H2,1,3-7H3/b17-16+,19-18+/t24-,26?,27+,29+,30?,31-,32?,33?,34?,35-,36+,37+,38?/m0/s1 |
| InChIKey | XMFYGTCNCCVDGI-UONSSYDISA-N |
| Literature Reference | S.D. Jolad, J.J. Hoffmann, J. Nat. Prod. (lloydia) 46, 675 (1983). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |