![28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-GYPSOGENIN-ESTER](/api/spectrum/3qdB5b35C7E/structure.png?h=300&w=458 "28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-GYPSOGENIN-ESTER")
| SpectraBase Compound ID | A89GpmlC86J |
|---|---|
| InChI | InChI=1S/C52H82O21/c1-23-39(70-42-36(62)32(58)26(55)20-66-42)40(71-43-37(63)35(61)34(60)28(19-53)69-43)38(64)44(68-23)72-41-33(59)27(56)21-67-45(41)73-46(65)52-16-14-47(2,3)18-25(52)24-8-9-30-48(4)12-11-31(57)49(5,22-54)29(48)10-13-51(30,7)50(24,6)15-17-52/h8,22-23,25-45,53,55-64H,9-21H2,1-7H3/t23-,25?,26+,27-,28-,29?,30?,31-,32-,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44-,45-,48-,49-,50+,51+,52-/m0/s1 |
| InChIKey | KDTUJAIYNSQFKH-UOPILFAOSA-N |
| Mol Weight | 1043.2 g/mol |
| Molecular Formula | C52H82O21 |
| Exact Mass | 1042.53486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3qdB5b35C7E |
|---|---|
| Name | 28-O-[GLUCOPYRANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-GYPSOGENIN-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H82O21 |
| InChI | InChI=1S/C52H82O21/c1-23-39(70-42-36(62)32(58)26(55)20-66-42)40(71-43-37(63)35(61)34(60)28(19-53)69-43)38(64)44(68-23)72-41-33(59)27(56)21-67-45(41)73-46(65)52-16-14-47(2,3)18-25(52)24-8-9-30-48(4)12-11-31(57)49(5,22-54)29(48)10-13-51(30,7)50(24,6)15-17-52/h8,22-23,25-45,53,55-64H,9-21H2,1-7H3/t23-,25?,26+,27-,28-,29?,30?,31-,32-,33-,34-,35+,36+,37-,38+,39-,40-,41+,42-,43+,44-,45-,48-,49-,50+,51+,52-/m0/s1 |
| InChIKey | KDTUJAIYNSQFKH-UOPILFAOSA-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 | 1043.210 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1105 |