| SpectraBase Compound ID | FWzqdgaedmq |
|---|---|
| InChI | InChI=1S/C45H78O10/c1-9-11-17-36-40-21-20-34(10-2)16-14-12-13-15-18-37(47)32(6)38(48)26-35(52-8)27-39(49)33(7)44(51)30(4)19-22-43(50)53-42(36)28-45(54-40)24-23-29(3)41(55-45)25-31(5)46/h12-14,16,19,22,29-42,44,46-49,51H,9-11,15,17-18,20-21,23-28H2,1-8H3/b13-12+,16-14+,22-19+/t29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/m0/s1 |
| InChIKey | WMXKEUFJWWCTRV-UVLVZXPYSA-N |
| Mol Weight | 779.1 g/mol |
| Molecular Formula | C45H78O10 |
| Exact Mass | 778.559499 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BBzGwISvwZO |
|---|---|
| Name | NEOMACLAFUNGIN_G;44-ETHYLENOMACLAFUNGIN_E |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H78O10 |
| InChI | InChI=1S/C45H78O10/c1-9-11-17-36-40-21-20-34(10-2)16-14-12-13-15-18-37(47)32(6)38(48)26-35(52-8)27-39(49)33(7)44(51)30(4)19-22-43(50)53-42(36)28-45(54-40)24-23-29(3)41(55-45)25-31(5)46/h12-14,16,19,22,29-42,44,46-49,51H,9-11,15,17-18,20-21,23-28H2,1-8H3/b13-12+,16-14+,22-19+/t29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,44+,45-/m0/s1 |
| InChIKey | WMXKEUFJWWCTRV-UVLVZXPYSA-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 | 41634 |
| Solvent | CDCl3 |