![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/1WduJ0P8LBA/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | 8BPhHmp43Cu |
|---|---|
| InChI | InChI=1S/C56H90O24/c1-23-41(76-45-37(66)34(63)26(57)19-71-45)43(78-47-39(68)42(29(60)22-73-47)77-46-38(67)35(64)27(58)20-72-46)40(69)48(75-23)79-44-36(65)28(59)21-74-49(44)80-50(70)56-16-15-51(2,3)17-25(56)24-9-10-31-53(6)13-12-32(61)52(4,5)30(53)11-14-54(31,7)55(24,8)18-33(56)62/h9,23,25-49,57-69H,10-22H2,1-8H3/t23-,25?,26+,27+,28+,29+,30?,31?,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49-,53-,54+,55+,56+/m0/s1 |
| InChIKey | DWXPFJARKALBCF-BUSMVELSSA-N |
| Mol Weight | 1147.3 g/mol |
| Molecular Formula | C56H90O24 |
| Exact Mass | 1146.582204 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1WduJ0P8LBA |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O24 |
| InChI | InChI=1S/C56H90O24/c1-23-41(76-45-37(66)34(63)26(57)19-71-45)43(78-47-39(68)42(29(60)22-73-47)77-46-38(67)35(64)27(58)20-72-46)40(69)48(75-23)79-44-36(65)28(59)21-74-49(44)80-50(70)56-16-15-51(2,3)17-25(56)24-9-10-31-53(6)13-12-32(61)52(4,5)30(53)11-14-54(31,7)55(24,8)18-33(56)62/h9,23,25-49,57-69H,10-22H2,1-8H3/t23-,25?,26+,27+,28+,29+,30?,31?,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47-,48-,49-,53-,54+,55+,56+/m0/s1 |
| InChIKey | DWXPFJARKALBCF-BUSMVELSSA-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 | 1147.316 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1018 |