| SpectraBase Compound ID | 1nImIIhoErw |
|---|---|
| InChI | InChI=1S/C41H78O15/c1-28(53-40-38(51-3)36(48)34(46)31(26-42)55-40)21-17-16-20-23-29(54-41-39(52-4)37(49)35(47)32(27-43)56-41)22-18-14-12-10-8-6-5-7-9-11-13-15-19-24-30(50-2)25-33(44)45/h28-32,34-43,46-49H,5-27H2,1-4H3,(H,44,45)/t28?,29?,30?,31-,32+,34-,35+,36+,37-,38-,39+,40-,41+/m1/s1 |
| InChIKey | VQARVNFNEBLTON-GHWACIFRSA-N |
| Mol Weight | 811.1 g/mol |
| Molecular Formula | C41H78O15 |
| Exact Mass | 810.534072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B32nrJJaxpn |
|---|---|
| Name | 3-METHOXY-19,25-DI-(2-O-METHYL-BETA-D-GLUCOPYRANOSYLOXY)-HEXACOSANOIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H78O15 |
| InChI | InChI=1S/C41H78O15/c1-28(53-40-38(51-3)36(48)34(46)31(26-42)55-40)21-17-16-20-23-29(54-41-39(52-4)37(49)35(47)32(27-43)56-41)22-18-14-12-10-8-6-5-7-9-11-13-15-19-24-30(50-2)25-33(44)45/h28-32,34-43,46-49H,5-27H2,1-4H3,(H,44,45)/t28?,29?,30?,31-,32+,34-,35+,36+,37-,38-,39+,40-,41+/m1/s1 |
| InChIKey | VQARVNFNEBLTON-GHWACIFRSA-N |
| Literature Reference Author | M.TSUNAKAWA,C.KOTAKE,T.YAMASAKI,T.MORIYAMA,M.KONISHI,T.OKI |
| Literature Reference Citation | J.ANTIBIOTICS,45,1472(1992) |
| Literature Reference DOI | 10.7164/antibiotics.45.1472 |
| Molecular Weight | 811.061 g/mol |
| Sample ID | 45957 |
| Solvent | C5D5N |