| SpectraBase Compound ID | 3CsoNGn3YUf |
|---|---|
| InChI | InChI=1S/C46H74O12/c1-12-33-18-16-14-15-17-26(4)43(53)45(11,55)44(54)32(10)41(52)31(9)40(51)30(8)39(50)25(3)19-22-38(49)56-42-29(7)35(21-20-33)57-46(34(42)13-2)37(48)23-27(5)36(58-46)24-28(6)47/h14-16,18-19,22,25-36,39,41-43,47,50,52-53,55H,12-13,17,20-21,23-24H2,1-11H3/b15-14+,18-16+,22-19+/t25-,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36+,39+,41+,42+,43-,45+,46+/m1/s1 |
| InChIKey | VVNFPMGPKYNROA-BXJYRYOHSA-N |
| Mol Weight | 819.1 g/mol |
| Molecular Formula | C46H74O12 |
| Exact Mass | 818.518028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 11O6IxMdSVP |
|---|---|
| Name | NK-86-0279-I;44-HOMO-OLIGOMYCIN-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H74O12 |
| InChI | InChI=1S/C46H74O12/c1-12-33-18-16-14-15-17-26(4)43(53)45(11,55)44(54)32(10)41(52)31(9)40(51)30(8)39(50)25(3)19-22-38(49)56-42-29(7)35(21-20-33)57-46(34(42)13-2)37(48)23-27(5)36(58-46)24-28(6)47/h14-16,18-19,22,25-36,39,41-43,47,50,52-53,55H,12-13,17,20-21,23-24H2,1-11H3/b15-14+,18-16+,22-19+/t25-,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36+,39+,41+,42+,43-,45+,46+/m1/s1 |
| InChIKey | VVNFPMGPKYNROA-BXJYRYOHSA-N |
| Literature Reference Author | M.YAMAZAKI,T.YAMASHITA,T.HARADA,T.NISHIKIORI,S.SAITO,N.SHIMA DA,A.FUJII |
| Literature Reference Citation | J.ANTIBIOTICS,45,171(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.171 |
| Molecular Weight | 819.086 g/mol |
| Sample ID | 45816 |
| Solvent | CDCl3 |