![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-GYPSOGENIN-ESTER](/api/spectrum/IeemglUzOKN/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-GYPSOGENIN-ESTER")
| SpectraBase Compound ID | 9mGVaT4VoZB |
|---|---|
| InChI | InChI=1S/C51H80O20/c1-23-38(68-42-37(62)39(28(55)21-65-42)69-41-35(60)32(57)26(53)19-64-41)34(59)36(61)43(67-23)70-40-33(58)27(54)20-66-44(40)71-45(63)51-16-14-46(2,3)18-25(51)24-8-9-30-47(4)12-11-31(56)48(5,22-52)29(47)10-13-50(30,7)49(24,6)15-17-51/h8,22-23,25-44,53-62H,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-,47-,48-,49+,50+,51-/m0/s1 |
| InChIKey | URIGNSXATPEHFA-JGAMSCLASA-N |
| Mol Weight | 1013.2 g/mol |
| Molecular Formula | C51H80O20 |
| Exact Mass | 1012.524295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IeemglUzOKN |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-GYPSOGENIN-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H80O20 |
| InChI | InChI=1S/C51H80O20/c1-23-38(68-42-37(62)39(28(55)21-65-42)69-41-35(60)32(57)26(53)19-64-41)34(59)36(61)43(67-23)70-40-33(58)27(54)20-66-44(40)71-45(63)51-16-14-46(2,3)18-25(51)24-8-9-30-47(4)12-11-31(56)48(5,22-52)29(47)10-13-50(30,7)49(24,6)15-17-51/h8,22-23,25-44,53-62H,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-,47-,48-,49+,50+,51-/m0/s1 |
| InChIKey | URIGNSXATPEHFA-JGAMSCLASA-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 | 1013.184 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1111 |