| SpectraBase Compound ID | JcllQjoDXfM |
|---|---|
| InChI | InChI=1S/C45H78O10/c1-9-16-36-40-21-20-33(10-2)17-14-12-13-15-18-37(47)31(6)38(48)26-35(52-8)27-39(49)32(7)44(51)30(5)19-22-43(50)53-42(36)28-45(54-40)24-23-29(4)41(55-45)25-34(46)11-3/h12-14,17,19,22,29-42,44,46-49,51H,9-11,15-16,18,20-21,23-28H2,1-8H3/b13-12+,17-14+,22-19+/t29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/m0/s1 |
| InChIKey | XPDGDKXGWFERJN-XDZIDRGISA-N |
| Mol Weight | 779.1 g/mol |
| Molecular Formula | C45H78O10 |
| Exact Mass | 778.559499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FBuKv5tLQJN |
|---|---|
| Name | NEOMACLAFUNGIN_H;34,44-DIMETHYLNEOMACLAFUNGIN_E |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78O10 |
| InChI | InChI=1S/C45H78O10/c1-9-16-36-40-21-20-33(10-2)17-14-12-13-15-18-37(47)31(6)38(48)26-35(52-8)27-39(49)32(7)44(51)30(5)19-22-43(50)53-42(36)28-45(54-40)24-23-29(4)41(55-45)25-34(46)11-3/h12-14,17,19,22,29-42,44,46-49,51H,9-11,15-16,18,20-21,23-28H2,1-8H3/b13-12+,17-14+,22-19+/t29-,30-,31+,32-,33-,34+,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/m0/s1 |
| InChIKey | XPDGDKXGWFERJN-XDZIDRGISA-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 | 779.108 g/mol |
| Sample ID | 41635 |
| Solvent | CDCl3 |