| SpectraBase Compound ID | 4kjUqQ98feo |
|---|---|
| InChI | InChI=1S/C27H37NO6S/c1-15-8-10-21(29)17(3)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(11-9-15)16(2)12-20-14-35-19(5)28-20/h8-10,12,14,17-18,22-23,25,30,32H,11,13H2,1-7H3/b10-8+,15-9-,16-12+/t17-,18+,22-,23-,25-/m0/s1 |
| InChIKey | VARJYEHLJSMYQM-CCBIUVDHSA-N |
| Mol Weight | 503.7 g/mol |
| Molecular Formula | C27H37NO6S |
| Exact Mass | 503.234159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9k9xOO7fBn0 |
|---|---|
| Name | 9-KETO-10,11-DIDEHYDROEPOTHILONE-D |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H37NO6S |
| InChI | InChI=1S/C27H37NO6S/c1-15-8-10-21(29)17(3)25(32)18(4)26(33)27(6,7)23(30)13-24(31)34-22(11-9-15)16(2)12-20-14-35-19(5)28-20/h8-10,12,14,17-18,22-23,25,30,32H,11,13H2,1-7H3/b10-8+,15-9-,16-12+/t17-,18+,22-,23-,25-/m0/s1 |
| InChIKey | VARJYEHLJSMYQM-CCBIUVDHSA-N |
| Literature Reference Author | C.M.STARKS,Y.ZHOU,F.LIU,P.J.LICARI |
| Literature Reference Citation | J.NAT.PROD.,66,1313(2003) |
| Literature Reference DOI | 10.1021/np030218+ |
| Molecular Weight | 503.654 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1080 |