![POLYSCIOSIDE-H-METHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-(6-O-METHYL)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-AC](/api/spectrum/JqxjRaEC7Uq/structure.png?h=300&w=458 "POLYSCIOSIDE-H-METHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-(6-O-METHYL)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-AC")
| SpectraBase Compound ID | HTIojRWPN5I |
|---|---|
| InChI | InChI=1S/C61H98O28/c1-24-33(65)37(69)40(72)50(80-24)85-45-36(68)29(23-64)83-53(44(45)76)89-55(78)61-18-16-56(2,3)20-26(61)25-10-11-31-58(6)14-13-32(57(4,5)30(58)12-15-60(31,8)59(25,7)17-19-61)84-54-47(87-52-42(74)39(71)35(67)28(22-63)82-52)43(75)46(48(88-54)49(77)79-9)86-51-41(73)38(70)34(66)27(21-62)81-51/h10,24,26-48,50-54,62-76H,11-23H2,1-9H3/t24-,26?,27-,28-,29+,30?,31?,32-,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,50-,51+,52+,53-,54+,58-,59+,60+,61-/m0/s1 |
| InChIKey | XFYXEFDKSLEAKP-QIPDDKPCSA-N |
| Mol Weight | 1279.4 g/mol |
| Molecular Formula | C61H98O28 |
| Exact Mass | 1278.624462 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JqxjRaEC7Uq |
|---|---|
| Name | POLYSCIOSIDE-H-METHYLESTER;3-O-[BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->2)]-(6-O-METHYL)-BETA-D-GLUCURONOPYRANOSYL]-OLEANOLIC-AC |
| Compound Number | 11A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H98O28 |
| InChI | InChI=1S/C61H98O28/c1-24-33(65)37(69)40(72)50(80-24)85-45-36(68)29(23-64)83-53(44(45)76)89-55(78)61-18-16-56(2,3)20-26(61)25-10-11-31-58(6)14-13-32(57(4,5)30(58)12-15-60(31,8)59(25,7)17-19-61)84-54-47(87-52-42(74)39(71)35(67)28(22-63)82-52)43(75)46(48(88-54)49(77)79-9)86-51-41(73)38(70)34(66)27(21-62)81-51/h10,24,26-48,50-54,62-76H,11-23H2,1-9H3/t24-,26?,27-,28-,29+,30?,31?,32-,33-,34-,35-,36+,37+,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,50-,51+,52+,53-,54+,58-,59+,60+,61-/m0/s1 |
| InChIKey | XFYXEFDKSLEAKP-QIPDDKPCSA-N |
| Literature Reference Author | V.D.HUAN,S.YAMAMURA,K.OHTANI,R.KASAI,K.YAMASAKI,N.T.NHAM,H.M .CHAU |
| Literature Reference Citation | PHYTOCHEM.,47,451(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00618-3 |
| Molecular Weight | 1279.432 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS198 |