![28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/9mBvGPUWSaM/structure.png?h=300&w=458 "28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | AauV7wVzswP |
|---|---|
| InChI | InChI=1S/C52H84O20/c1-22-32(57)34(59)37(62)43(67-22)70-40-27(54)21-66-45(41(40)71-44-38(63)35(60)39(23(2)68-44)69-42-36(61)33(58)26(53)20-65-42)72-46(64)52-17-16-47(3,4)18-25(52)24-10-11-29-49(7)14-13-30(55)48(5,6)28(49)12-15-50(29,8)51(24,9)19-31(52)56/h10,22-23,25-45,53-63H,11-21H2,1-9H3/t22-,23+,25?,26+,27-,28?,29?,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43-,44+,45+,49+,50-,51-,52-/m1/s1 |
| InChIKey | HMIHZMOYMOPZJM-XXAPWPQMSA-N |
| Mol Weight | 1029.2 g/mol |
| Molecular Formula | C52H84O20 |
| Exact Mass | 1028.555595 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9mBvGPUWSaM |
|---|---|
| Name | 28-O-[XYLOPYRANOSYL-(1->4)-RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O20 |
| InChI | InChI=1S/C52H84O20/c1-22-32(57)34(59)37(62)43(67-22)70-40-27(54)21-66-45(41(40)71-44-38(63)35(60)39(23(2)68-44)69-42-36(61)33(58)26(53)20-65-42)72-46(64)52-17-16-47(3,4)18-25(52)24-10-11-29-49(7)14-13-30(55)48(5,6)28(49)12-15-50(29,8)51(24,9)19-31(52)56/h10,22-23,25-45,53-63H,11-21H2,1-9H3/t22-,23+,25?,26+,27-,28?,29?,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40+,41-,42-,43-,44+,45+,49+,50-,51-,52-/m1/s1 |
| InChIKey | HMIHZMOYMOPZJM-XXAPWPQMSA-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 | 1029.227 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1012 |