| SpectraBase Compound ID | ALbq2PBrD3y |
|---|---|
| InChI | InChI=1S/C46H80O11/c1-9-34-15-13-11-12-14-16-38(49)32(6)39(50)26-36(54-8)27-40(51)33(7)45(53)30(4)17-22-44(52)55-43-28-46(24-23-29(3)42(57-46)25-35(48)10-2)56-41(21-19-34)37(43)20-18-31(5)47/h11-13,15,17,22,29-43,45,47-51,53H,9-10,14,16,18-21,23-28H2,1-8H3/b12-11+,15-13+,22-17+/t29-,30-,31?,32+,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,45+,46-/m0/s1 |
| InChIKey | KNAZAWGMTPIXBR-ARMWXFDKSA-N |
| Mol Weight | 809.1 g/mol |
| Molecular Formula | C46H80O11 |
| Exact Mass | 808.570063 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hrdt1uXreF |
|---|---|
| Name | NEOMACLAFUNGIN_D;34,35-DIMETHYLNEOMACLAFUNGIN_A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H80O11 |
| InChI | InChI=1S/C46H80O11/c1-9-34-15-13-11-12-14-16-38(49)32(6)39(50)26-36(54-8)27-40(51)33(7)45(53)30(4)17-22-44(52)55-43-28-46(24-23-29(3)42(57-46)25-35(48)10-2)56-41(21-19-34)37(43)20-18-31(5)47/h11-13,15,17,22,29-43,45,47-51,53H,9-10,14,16,18-21,23-28H2,1-8H3/b12-11+,15-13+,22-17+/t29-,30-,31?,32+,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,45+,46-/m0/s1 |
| InChIKey | KNAZAWGMTPIXBR-ARMWXFDKSA-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 | 809.135 g/mol |
| Sample ID | 41630 |
| Solvent | CDCl3 |