![28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/47vuOyCKXT1/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->3)-XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | LbtlToUGaUP |
|---|---|
| InChI | InChI=1S/C51H82O20/c1-22-38(68-42-37(62)39(27(54)21-65-42)69-41-35(60)32(57)25(52)19-64-41)34(59)36(61)43(67-22)70-40-33(58)26(53)20-66-44(40)71-45(63)51-16-15-46(2,3)17-24(51)23-9-10-29-48(6)13-12-30(55)47(4,5)28(48)11-14-49(29,7)50(23,8)18-31(51)56/h9,22,24-44,52-62H,10-21H2,1-8H3/t22-,24?,25-,26+,27-,28?,29?,30-,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,48-,49+,50+,51+/m0/s1 |
| InChIKey | NERTYHCQIIUEAH-QXFLQINFSA-N |
| Mol Weight | 1015.2 g/mol |
| Molecular Formula | C51H82O20 |
| Exact Mass | 1014.539945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 47vuOyCKXT1 |
|---|---|
| Name | 28-O-[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 | C51H82O20 |
| InChI | InChI=1S/C51H82O20/c1-22-38(68-42-37(62)39(27(54)21-65-42)69-41-35(60)32(57)25(52)19-64-41)34(59)36(61)43(67-22)70-40-33(58)26(53)20-66-44(40)71-45(63)51-16-15-46(2,3)17-24(51)23-9-10-29-48(6)13-12-30(55)47(4,5)28(48)11-14-49(29,7)50(23,8)18-31(51)56/h9,22,24-44,52-62H,10-21H2,1-8H3/t22-,24?,25-,26+,27-,28?,29?,30-,31+,32+,33-,34-,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,48-,49+,50+,51+/m0/s1 |
| InChIKey | NERTYHCQIIUEAH-QXFLQINFSA-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 | 1015.200 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1343 |