![3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)]-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-METHYLESTER](/api/spectrum/3hA1fDGvOVJ/structure.png?h=300&w=458 "3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)]-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-METHYLESTER")
| SpectraBase Compound ID | KLRYh1MdE5i |
|---|---|
| InChI | InChI=1S/C50H81NO17/c1-23-34(55)38(59)40(68-42-39(60)35(56)27(53)21-63-42)43(65-23)64-22-28-36(57)37(58)33(51-24(2)52)41(66-28)67-32-14-15-47(7)29(46(32,5)6)13-16-48(8)30(47)12-11-25-26-19-45(3,4)17-18-50(26,44(61)62-10)31(54)20-49(25,48)9/h11,23,26-43,53-60H,12-22H2,1-10H3,(H,51,52)/t23-,26+,27-,28-,29+,30-,31-,32+,33-,34+,35+,36-,37-,38+,39-,40-,41+,42+,43-,47+,48-,49-,50-/m1/s1 |
| InChIKey | WSMPURRTGOKTDY-KIUFZIAMSA-N |
| Mol Weight | 968.2 g/mol |
| Molecular Formula | C50H81NO17 |
| Exact Mass | 967.55045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3hA1fDGvOVJ |
|---|---|
| Name | 3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-BETA-D-FUCOPYRANOSYL-(1->6)]-2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSYL-ECHINOCYSTIC-ACID-METHYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H81NO17 |
| InChI | InChI=1S/C50H81NO17/c1-23-34(55)38(59)40(68-42-39(60)35(56)27(53)21-63-42)43(65-23)64-22-28-36(57)37(58)33(51-24(2)52)41(66-28)67-32-14-15-47(7)29(46(32,5)6)13-16-48(8)30(47)12-11-25-26-19-45(3,4)17-18-50(26,44(61)62-10)31(54)20-49(25,48)9/h11,23,26-43,53-60H,12-22H2,1-10H3,(H,51,52)/t23-,26+,27-,28-,29+,30-,31-,32+,33-,34+,35+,36-,37-,38+,39-,40-,41+,42+,43-,47+,48-,49-,50-/m1/s1 |
| InChIKey | WSMPURRTGOKTDY-KIUFZIAMSA-N |
| Literature Reference Author | F.ORSINI,F.PELIZZONI,L.VEROTTA |
| Literature Reference Citation | PHYTOCHEM.,30,4111(1991) |
| Literature Reference DOI | 10.1016/0031-9422(91)83477-3 |
| Molecular Weight | 968.190 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU28712 |