![28-O-[GLUCOPYRANOSYL-(1->3)-(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/5ifgP51gzD4/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->3)-(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | KK7xDwqy3oQ |
|---|---|
| InChI | InChI=1S/C50H72O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-13,15,29-35,37-43,51-55,57-59H,14,16-25H2,1-7H3/b15-10+/t29?,30-,31-,32?,33?,34+,35-,37-,38+,39-,40+,41-,42+,43+,47+,48-,49-,50-/m1/s1 |
| InChIKey | MTYGCVPOKVNXNH-FAIHLWDPSA-N |
| Mol Weight | 913.1 g/mol |
| Molecular Formula | C50H72O15 |
| Exact Mass | 912.487122 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 | 5ifgP51gzD4 |
|---|---|
| Name | 28-O-[GLUCOPYRANOSYL-(1->3)-(2-COUMAROYLOXY)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H72O15 |
| InChI | InChI=1S/C50H72O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-13,15,29-35,37-43,51-55,57-59H,14,16-25H2,1-7H3/b15-10+/t29?,30-,31-,32?,33?,34+,35-,37-,38+,39-,40+,41-,42+,43+,47+,48-,49-,50-/m1/s1 |
| InChIKey | MTYGCVPOKVNXNH-FAIHLWDPSA-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 | 913.113 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1029 |