![3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-METHYLGLUCURONOPYRANOSYL]-OLEANOLIC-ACID-METHYLESTER-PERACETYLATED](/api/spectrum/798iMgbTg/structure.png?h=300&w=458 "3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-METHYLGLUCURONOPYRANOSYL]-OLEANOLIC-ACID-METHYLESTER-PERACETYLATED")
| SpectraBase Compound ID | 8IpQXBqUYN |
|---|---|
| InChI | InChI=1S/C53H78O18/c1-27(54)64-34-26-63-45(42(67-30(4)57)38(34)65-28(2)55)70-39-40(66-29(3)56)43(68-31(5)58)46(71-41(39)44(59)61-13)69-37-18-19-50(10)35(49(37,8)9)17-20-52(12)36(50)16-15-32-33-25-48(6,7)21-23-53(33,47(60)62-14)24-22-51(32,52)11/h15,33-43,45-46H,16-26H2,1-14H3/t33-,34-,35-,36+,37-,38+,39-,40-,41-,42-,43+,45+,46+,50-,51+,52+,53-/m0/s1 |
| InChIKey | WGLNCOCAJIWIOL-HYDQOALNSA-N |
| Mol Weight | 1003.2 g/mol |
| Molecular Formula | C53H78O18 |
| Exact Mass | 1002.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 798iMgbTg |
|---|---|
| Name | 3-O-[BETA-D-XYLOPYRANOSYL-(1->4)-BETA-D-METHYLGLUCURONOPYRANOSYL]-OLEANOLIC-ACID-METHYLESTER-PERACETYLATED |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H78O18 |
| InChI | InChI=1S/C53H78O18/c1-27(54)64-34-26-63-45(42(67-30(4)57)38(34)65-28(2)55)70-39-40(66-29(3)56)43(68-31(5)58)46(71-41(39)44(59)61-13)69-37-18-19-50(10)35(49(37,8)9)17-20-52(12)36(50)16-15-32-33-25-48(6,7)21-23-53(33,47(60)62-14)24-22-51(32,52)11/h15,33-43,45-46H,16-26H2,1-14H3/t33-,34-,35-,36+,37-,38+,39-,40-,41-,42-,43+,45+,46+,50-,51+,52+,53-/m0/s1 |
| InChIKey | WGLNCOCAJIWIOL-HYDQOALNSA-N |
| Literature Reference Author | A.PENDERS,C.DELAUDE |
| Literature Reference Citation | PHYTOCHEM.,37,821(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)90364-9 |
| Molecular Weight | 1003.192 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU23501 |