| SpectraBase Compound ID | D8TTiq6YlHT |
|---|---|
| InChI | InChI=1S/C45H78O11/c1-9-34-14-12-10-11-13-15-37(48)32(6)38(49)25-35(53-8)26-39(50)33(7)44(52)29(3)16-21-43(51)54-42-27-45(23-22-28(2)41(56-45)24-31(5)47)55-40(20-18-34)36(42)19-17-30(4)46/h10-12,14,16,21,28-42,44,46-50,52H,9,13,15,17-20,22-27H2,1-8H3/b11-10+,14-12+,21-16+/t28-,29-,30?,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/m0/s1 |
| InChIKey | KJXIWPQNNLDIEU-XNUXPFEBSA-N |
| Mol Weight | 795.1 g/mol |
| Molecular Formula | C45H78O11 |
| Exact Mass | 794.554413 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CqU57yPUFC |
|---|---|
| Name | NEOMACLAFUNGIN_B;45-METHYLNEOMACLAFUNGIN_A |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78O11 |
| InChI | InChI=1S/C45H78O11/c1-9-34-14-12-10-11-13-15-37(48)32(6)38(49)25-35(53-8)26-39(50)33(7)44(52)29(3)16-21-43(51)54-42-27-45(23-22-28(2)41(56-45)24-31(5)47)55-40(20-18-34)36(42)19-17-30(4)46/h10-12,14,16,21,28-42,44,46-50,52H,9,13,15,17-20,22-27H2,1-8H3/b11-10+,14-12+,21-16+/t28-,29-,30?,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/m0/s1 |
| InChIKey | KJXIWPQNNLDIEU-XNUXPFEBSA-N |
| Literature Reference Author | S.SATO,F.IWATA,S.YAMADA,M.KATAYAMA |
| Literature Reference Citation | J.NAT.PROD.,75,1974(2012) |
| Literature Reference DOI | 10.1021/np300719g |
| Molecular Weight | 795.108 g/mol |
| Sample ID | 41628 |
| Solvent | CDCl3 |