| SpectraBase Compound ID | B34ba4T7K24 |
|---|---|
| InChI | InChI=1S/C45H74O12/c1-12-33-17-15-13-14-16-26(4)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)25(3)18-19-37(48)55-41-28(6)36(23-34(33)47)57-45(32(41)10)21-20-24(2)35(56-45)22-27(5)46/h13-15,17-19,24-36,38,40-42,46-47,49,51-52,54H,12,16,20-23H2,1-11H3/b14-13+,17-15+,19-18+/t24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,34+,35-,36-,38+,40+,41+,42-,44+,45+/m0/s1 |
| InChIKey | SCVGLVGTMYJVOI-NRSXUADASA-N |
| Mol Weight | 807.1 g/mol |
| Molecular Formula | C45H74O12 |
| Exact Mass | 806.518028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhCYDfUVkUK |
|---|---|
| Name | LL-F28249-OMEGA;21-HYDROXYOLIGOMYCIN_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H74O12 |
| InChI | InChI=1S/C45H74O12/c1-12-33-17-15-13-14-16-26(4)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)25(3)18-19-37(48)55-41-28(6)36(23-34(33)47)57-45(32(41)10)21-20-24(2)35(56-45)22-27(5)46/h13-15,17-19,24-36,38,40-42,46-47,49,51-52,54H,12,16,20-23H2,1-11H3/b14-13+,17-15+,19-18+/t24-,25-,26+,27-,28+,29-,30-,31-,32-,33-,34+,35-,36-,38+,40+,41+,42-,44+,45+/m0/s1 |
| InChIKey | SCVGLVGTMYJVOI-NRSXUADASA-N |
| Literature Reference Author | M.M.WAGENAAR,R.T.WILLIAMSO,D.M.HO,G.T.CARTER |
| Literature Reference Citation | J.NAT.PROD.,70,367(2007) |
| Literature Reference DOI | 10.1021/np060519u |
| Molecular Weight | 807.075 g/mol |
| Sample ID | 30018 |
| Solvent | CDCl3 |