| SpectraBase Compound ID | KqhxtHHCm7Y |
|---|---|
| InChI | InChI=1S/C44H76O10/c1-9-15-35-39-20-19-33(10-2)16-13-11-12-14-17-36(46)31(6)37(47)25-34(51-8)26-38(48)32(7)43(50)29(4)18-21-42(49)52-41(35)27-44(53-39)23-22-28(3)40(54-44)24-30(5)45/h11-13,16,18,21,28-41,43,45-48,50H,9-10,14-15,17,19-20,22-27H2,1-8H3/b12-11+,16-13+,21-18+/t28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,41-,43+,44-/m0/s1 |
| InChIKey | MMWHFGVWWYJORG-YFRKABLKSA-N |
| Mol Weight | 765.1 g/mol |
| Molecular Formula | C44H76O10 |
| Exact Mass | 764.543849 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 | B5fNC6zcnEg |
|---|---|
| Name | NEOMACLAFUNGIN_F;44-METHYLNEOMACLAFUNGIN_E |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H76O10 |
| InChI | InChI=1S/C44H76O10/c1-9-15-35-39-20-19-33(10-2)16-13-11-12-14-17-36(46)31(6)37(47)25-34(51-8)26-38(48)32(7)43(50)29(4)18-21-42(49)52-41(35)27-44(53-39)23-22-28(3)40(54-44)24-30(5)45/h11-13,16,18,21,28-41,43,45-48,50H,9-10,14-15,17,19-20,22-27H2,1-8H3/b12-11+,16-13+,21-18+/t28-,29-,30+,31+,32-,33-,34+,35+,36+,37-,38+,39-,40-,41-,43+,44-/m0/s1 |
| InChIKey | MMWHFGVWWYJORG-YFRKABLKSA-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 | 765.081 g/mol |
| Sample ID | 41633 |
| Solvent | CDCl3 |