![28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/60KTapECcjl/structure.png?h=300&w=458 "28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | 8Kz4qCq5TYK |
|---|---|
| InChI | InChI=1S/C51H82O20/c1-23-36(68-40-34(59)32(57)26(53)19-64-40)37(69-43-39(61)50(63,21-52)22-66-43)35(60)41(67-23)70-38-33(58)27(54)20-65-42(38)71-44(62)51-16-15-45(2,3)17-25(51)24-9-10-29-47(6)13-12-30(55)46(4,5)28(47)11-14-48(29,7)49(24,8)18-31(51)56/h9,23,25-43,52-61,63H,10-22H2,1-8H3/t23-,25?,26+,27-,28?,29?,30-,31+,32-,33-,34+,35+,36-,37-,38+,39-,40-,41-,42-,43-,47-,48+,49+,50+,51+/m0/s1 |
| InChIKey | NIRUSNBFHXFOMP-RDEDJTDWSA-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 | 60KTapECcjl |
|---|---|
| Name | 28-O-[APIOFURANOSYL-(1->3)-[XYLOPYRANOSYL-(1->4)]-RHAMNOPYRANOSYL-(1->2)-ARABINOPYRANOSYL]-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/c1-23-36(68-40-34(59)32(57)26(53)19-64-40)37(69-43-39(61)50(63,21-52)22-66-43)35(60)41(67-23)70-38-33(58)27(54)20-65-42(38)71-44(62)51-16-15-45(2,3)17-25(51)24-9-10-29-47(6)13-12-30(55)46(4,5)28(47)11-14-48(29,7)49(24,8)18-31(51)56/h9,23,25-43,52-61,63H,10-22H2,1-8H3/t23-,25?,26+,27-,28?,29?,30-,31+,32-,33-,34+,35+,36-,37-,38+,39-,40-,41-,42-,43-,47-,48+,49+,50+,51+/m0/s1 |
| InChIKey | NIRUSNBFHXFOMP-RDEDJTDWSA-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 | UWVN1017 |