![28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(GLUCOPYRANOSYL-(1->4)-3-METHOXY-PHENYL)-PROPANOYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/KdkL5wzBEdo/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(GLUCOPYRANOSYL-(1->4)-3-METHOXY-PHENYL)-PROPANOYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | G8uwQYA6lCo |
|---|---|
| InChI | InChI=1S/C57H86O21/c1-52(2)19-20-57(29(22-52)28-11-13-36-54(5)17-16-37(61)53(3,4)35(54)15-18-55(36,6)56(28,7)23-38(57)62)51(70)78-50-47(46(30(60)26-72-50)77-49-45(69)43(67)41(65)34(25-59)75-49)76-39(63)14-10-27-9-12-31(32(21-27)71-8)73-48-44(68)42(66)40(64)33(24-58)74-48/h9,11-12,21,29-30,33-38,40-50,58-62,64-69H,10,13-20,22-26H2,1-8H3/t29?,30-,33-,34+,35?,36?,37-,38+,40-,41+,42+,43-,44-,45+,46-,47+,48-,49-,50-,54-,55+,56+,57+/m0/s1 |
| InChIKey | QQKCWCQNHRMWPW-GSHOWWIMSA-N |
| Mol Weight | 1107.3 g/mol |
| Molecular Formula | C57H86O21 |
| Exact Mass | 1106.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KdkL5wzBEdo |
|---|---|
| Name | 28-O-[GLUCOPYRANOSYL-(1->3)-2-[3-(GLUCOPYRANOSYL-(1->4)-3-METHOXY-PHENYL)-PROPANOYLOXY]-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H86O21 |
| InChI | InChI=1S/C57H86O21/c1-52(2)19-20-57(29(22-52)28-11-13-36-54(5)17-16-37(61)53(3,4)35(54)15-18-55(36,6)56(28,7)23-38(57)62)51(70)78-50-47(46(30(60)26-72-50)77-49-45(69)43(67)41(65)34(25-59)75-49)76-39(63)14-10-27-9-12-31(32(21-27)71-8)73-48-44(68)42(66)40(64)33(24-58)74-48/h9,11-12,21,29-30,33-38,40-50,58-62,64-69H,10,13-20,22-26H2,1-8H3/t29?,30-,33-,34+,35?,36?,37-,38+,40-,41+,42+,43-,44-,45+,46-,47+,48-,49-,50-,54-,55+,56+,57+/m0/s1 |
| InChIKey | QQKCWCQNHRMWPW-GSHOWWIMSA-N |
| Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
| Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
| Molecular Weight | 1107.297 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1037 |