| SpectraBase Compound ID | 7l9t6NTx8Cm |
|---|---|
| InChI | InChI=1S/C36H64O16.Na/c1-2-3-15-18-23(48-34(47)33(45)46)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-26(39)51-32-28(41)25(22-38)50-36(31(32)44)52-35-30(43)29(42)27(40)24(21-37)49-35;/h23-25,27-32,35-38,40-44H,2-22H2,1H3,(H,45,46);/q;+1/p-1/t23?,24-,25-,27+,28-,29+,30-,31-,32+,35-,36-;/m0./s1 |
| InChIKey | KMFSSMUMESFPOE-WTTKRRMHSA-M |
| Mol Weight | 774.9 g/mol |
| Molecular Formula | C36H63NaO16 |
| Exact Mass | 774.40138 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Z42ixNEwF5 |
|---|---|
| Name | EMMYGUYACIN-A;1-O-(3-O-(1-OXO-17-OXALYLOXYDOCOSYL)-ALPHA-D-GLUCOPYRANOSYL)-ALPHA-D-GALACTOPYRANOSIDE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H63NaO16 |
| InChI | InChI=1S/C36H64O16.Na/c1-2-3-15-18-23(48-34(47)33(45)46)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-26(39)51-32-28(41)25(22-38)50-36(31(32)44)52-35-30(43)29(42)27(40)24(21-37)49-35;/h23-25,27-32,35-38,40-44H,2-22H2,1H3,(H,45,46);/q;+1/p-1/t23?,24-,25-,27+,28-,29+,30-,31-,32+,35-,36-;/m0./s1 |
| InChIKey | KMFSSMUMESFPOE-WTTKRRMHSA-M |
| Literature Reference Author | C.BOROS,B.KATZ,S.MITCHELL,C.PEARCE,K.SWINBANK,D.TAYLOR |
| Literature Reference Citation | J.NAT.PROD.,65,108(2002) |
| Literature Reference DOI | 10.1021/np010345a |
| Molecular Weight | 774.876 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI2707 |