| SpectraBase Compound ID | 737lKLSp4aD |
|---|---|
| InChI | InChI=1S/C46H80O10/c1-9-11-14-18-37-41-22-21-35(10-2)17-15-12-13-16-19-38(48)33(6)39(49)27-36(53-8)28-40(50)34(7)45(52)31(4)20-23-44(51)54-43(37)29-46(55-41)25-24-30(3)42(56-46)26-32(5)47/h12-13,15,17,20,23,30-43,45,47-50,52H,9-11,14,16,18-19,21-22,24-29H2,1-8H3/b13-12+,17-15+,23-20+/t30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,45+,46-/m0/s1 |
| InChIKey | QLIMWTMFHLCREQ-NLHPMFDSSA-N |
| Mol Weight | 793.1 g/mol |
| Molecular Formula | C46H80O10 |
| Exact Mass | 792.575149 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9sTNGpJVybF |
|---|---|
| Name | ENOMACLAFUNGIN_I;44-PROPYLNEOMACLAFUNGIN_E |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O10 |
| InChI | InChI=1S/C46H80O10/c1-9-11-14-18-37-41-22-21-35(10-2)17-15-12-13-16-19-38(48)33(6)39(49)27-36(53-8)28-40(50)34(7)45(52)31(4)20-23-44(51)54-43(37)29-46(55-41)25-24-30(3)42(56-46)26-32(5)47/h12-13,15,17,20,23,30-43,45,47-50,52H,9-11,14,16,18-19,21-22,24-29H2,1-8H3/b13-12+,17-15+,23-20+/t30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40+,41-,42-,43-,45+,46-/m0/s1 |
| InChIKey | QLIMWTMFHLCREQ-NLHPMFDSSA-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 | 793.135 g/mol |
| Sample ID | 41636 |
| Solvent | CDCl3 |