| SpectraBase Compound ID | 4EeNLMeXqaM |
|---|---|
| InChI | InChI=1S/C41H68O15.Na/c1-20(25(6)42)17-21(2)33(43)29-14-13-27(52-29)28-15-16-31(53-28)39(8)36(50-11)24(5)41(56-39)22(3)30(48-9)18-26(54-41)19-32-38(7,51-12)35(49-10)23(4)40(47,55-32)34(44)37(45)46;/h17,21-24,26-36,43-44,47H,13-16,18-19H2,1-12H3,(H,45,46);/q;+1/p-1/b20-17+;/t21?,22-,23-,24+,26+,27-,28-,29-,30-,31+,32-,33+,34?,35-,36+,38-,39+,40?,41-;/m0./s1 |
| InChIKey | UCNAWEWUUHTMDG-KEKKEDKOSA-M |
| Mol Weight | 823.0 g/mol |
| Molecular Formula | C41H67NaO15 |
| Exact Mass | 822.437766 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9RqFbM3F92 |
|---|---|
| Name | UCNAWEWUUHTMDG-KEKKEDKOSA-M |
| Compound Number | 27C6;2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H67NaO15 |
| InChI | InChI=1S/C41H68O15.Na/c1-20(25(6)42)17-21(2)33(43)29-14-13-27(52-29)28-15-16-31(53-28)39(8)36(50-11)24(5)41(56-39)22(3)30(48-9)18-26(54-41)19-32-38(7,51-12)35(49-10)23(4)40(47,55-32)34(44)37(45)46;/h17,21-24,26-36,43-44,47H,13-16,18-19H2,1-12H3,(H,45,46);/q;+1/p-1/b20-17+;/t21?,22-,23-,24+,26+,27-,28-,29-,30-,31+,32-,33+,34?,35-,36+,38-,39+,40?,41-;/m0./s1 |
| InChIKey | UCNAWEWUUHTMDG-KEKKEDKOSA-M |
| Literature Reference Author | M.HOSHI,K.W.SHIMOTOHNO,T.ENDO,K.FURIHATA,H.SETO |
| Literature Reference Citation | J.ANTIBIOTICS,50,631(1997) |
| Literature Reference DOI | 10.7164/antibiotics.50.631 |
| Molecular Weight | 822.964 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS24936 |