![28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER](/api/spectrum/5n0lSj2UDfR/structure.png?h=300&w=458 "28-O-[RHAMNOPYRANOSYL-(1->2)-[RHAMNOPYRANOSYL-(1->3)]-XYLOPYRANOSYL]-ECHINOCYSTIC-ACID-ESTER")
| SpectraBase Compound ID | BIYQo1sY5uJ |
|---|---|
| InChI | InChI=1S/C47H76O16/c1-21-30(51)32(53)34(55)38(59-21)61-36-25(48)20-58-40(37(36)62-39-35(56)33(54)31(52)22(2)60-39)63-41(57)47-17-16-42(3,4)18-24(47)23-10-11-27-44(7)14-13-28(49)43(5,6)26(44)12-15-45(27,8)46(23,9)19-29(47)50/h10,21-22,24-40,48-56H,11-20H2,1-9H3/t21-,22+,24?,25-,26?,27?,28+,29-,30-,31+,32+,33-,34+,35-,36+,37-,38-,39+,40+,44+,45-,46-,47-/m1/s1 |
| InChIKey | QOQZGHADQRURTR-ZBQYJMLTSA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C47H76O16 |
| Exact Mass | 896.513336 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5n0lSj2UDfR |
|---|---|
| Name | 28-O-[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 | C47H76O16 |
| InChI | InChI=1S/C47H76O16/c1-21-30(51)32(53)34(55)38(59-21)61-36-25(48)20-58-40(37(36)62-39-35(56)33(54)31(52)22(2)60-39)63-41(57)47-17-16-42(3,4)18-24(47)23-10-11-27-44(7)14-13-28(49)43(5,6)26(44)12-15-45(27,8)46(23,9)19-29(47)50/h10,21-22,24-40,48-56H,11-20H2,1-9H3/t21-,22+,24?,25-,26?,27?,28+,29-,30-,31+,32+,33-,34+,35-,36+,37-,38-,39+,40+,44+,45-,46-,47-/m1/s1 |
| InChIKey | QOQZGHADQRURTR-ZBQYJMLTSA-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 | 897.111 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN1011 |