| SpectraBase Compound ID | IBsiGCkkLIY |
|---|---|
| InChI | InChI=1S/C36H50O9/c1-7-23(4)33(38)42-19-26-16-30-34(39)43-29-17-28(45-35(18-29)14-13-24(5)25(6)44-35)12-11-22(3)15-21(2)9-8-10-27-20-41-32(31(26)37)36(27,30)40/h7-11,16,21,24-25,28-32,37,40H,12-15,17-20H2,1-6H3/b9-8+,22-11+,23-7+,27-10+/t21-,24+,25-,28+,29-,30-,31+,32+,35-,36+/m0/s1 |
| InChIKey | PAUJDBQAEOHNRD-KCPQNXIASA-N |
| Mol Weight | 626.8 g/mol |
| Molecular Formula | C36H50O9 |
| Exact Mass | 626.345483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8B3S2qwnc7V |
|---|---|
| Name | MILBEMYCIN-ALPHA(20) |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H50O9 |
| InChI | InChI=1S/C36H50O9/c1-7-23(4)33(38)42-19-26-16-30-34(39)43-29-17-28(45-35(18-29)14-13-24(5)25(6)44-35)12-11-22(3)15-21(2)9-8-10-27-20-41-32(31(26)37)36(27,30)40/h7-11,16,21,24-25,28-32,37,40H,12-15,17-20H2,1-6H3/b9-8+,22-11+,23-7+,27-10+/t21-,24+,25-,28+,29-,30-,31+,32+,35-,36+/m0/s1 |
| InChIKey | PAUJDBQAEOHNRD-KCPQNXIASA-N |
| Literature Reference Author | K.NONAKA,T.TSUKIYAMA,Y.OKAMOTO,K.SATO,C.KUMASAKA,T.YAMAMOTO, F.MARUYAMA,H.YOSHIKA |
| Literature Reference Citation | J.ANTIBIOTICS,53,694(2000) |
| Literature Reference DOI | 10.7164/antibiotics.53.694 |
| Molecular Weight | 626.788 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWRU8167 |