![3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-ECHINOCYSTIC-ACID](/api/spectrum/4nCfhLaRNBT/structure.png?h=300&w=458 "3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-ECHINOCYSTIC-ACID")
| SpectraBase Compound ID | 9w4WNsSELrG |
|---|---|
| InChI | InChI=1S/C49H79NO17/c1-22-33(54)37(58)39(67-41-38(59)34(55)26(52)20-62-41)42(64-22)63-21-27-35(56)36(57)32(50-23(2)51)40(65-27)66-31-13-14-46(7)28(45(31,5)6)12-15-47(8)29(46)11-10-24-25-18-44(3,4)16-17-49(25,43(60)61)30(53)19-48(24,47)9/h10,22,25-42,52-59H,11-21H2,1-9H3,(H,50,51)(H,60,61)/t22-,25+,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40+,41+,42-,46+,47-,48-,49-/m1/s1 |
| InChIKey | MIPXDZVPQOJPHM-CZCOOUKYSA-N |
| Mol Weight | 954.2 g/mol |
| Molecular Formula | C49H79NO17 |
| Exact Mass | 953.5348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4nCfhLaRNBT |
|---|---|
| Name | 3-O-[ALPHA-L-ARABINOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL]-ECHINOCYSTIC-ACID |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H79NO17 |
| InChI | InChI=1S/C49H79NO17/c1-22-33(54)37(58)39(67-41-38(59)34(55)26(52)20-62-41)42(64-22)63-21-27-35(56)36(57)32(50-23(2)51)40(65-27)66-31-13-14-46(7)28(45(31,5)6)12-15-47(8)29(46)11-10-24-25-18-44(3,4)16-17-49(25,43(60)61)30(53)19-48(24,47)9/h10,22,25-42,52-59H,11-21H2,1-9H3,(H,50,51)(H,60,61)/t22-,25+,26+,27-,28+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38-,39-,40+,41+,42-,46+,47-,48-,49-/m1/s1 |
| InChIKey | MIPXDZVPQOJPHM-CZCOOUKYSA-N |
| Literature Reference Author | F.R.MELEK,T.MIYASE,N.S.GHALY,M.NABIL |
| Literature Reference Citation | PHYTOCHEM.,68,1261(2007) |
| Literature Reference DOI | 10.1016/j.phytochem.2007.02.023 |
| Molecular Weight | 954.163 g/mol |
| Sample ID | 62378 |
| Solvent | C5D5N |