![SQUARROSIDE-II;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-28-BETA-D-GLUCOPYRANOSYLESTER](/api/spectrum/Lh1S2uHl8DZ/structure.png?h=300&w=458 "SQUARROSIDE-II;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-28-BETA-D-GLUCOPYRANOSYLESTER")
| SpectraBase Compound ID | 33xJlVjMdfa |
|---|---|
| InChI | InChI=1S/C53H86O21/c1-23-32(56)36(60)39(63)43(68-23)73-42-35(59)28(71-44-40(64)37(61)33(57)26(20-54)69-44)22-67-46(42)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-41(65)38(62)34(58)27(21-55)70-45/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | PJJJZSMJLUFJIM-XNZZYCLLSA-N |
| Mol Weight | 1059.2 g/mol |
| Molecular Formula | C53H86O21 |
| Exact Mass | 1058.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lh1S2uHl8DZ |
|---|---|
| Name | SQUARROSIDE-II;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-28-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O21 |
| InChI | InChI=1S/C53H86O21/c1-23-32(56)36(60)39(63)43(68-23)73-42-35(59)28(71-44-40(64)37(61)33(57)26(20-54)69-44)22-67-46(42)72-31-12-13-50(6)29(49(31,4)5)11-14-52(8)30(50)10-9-24-25-19-48(2,3)15-17-53(25,18-16-51(24,52)7)47(66)74-45-41(65)38(62)34(58)27(21-55)70-45/h9,23,25-46,54-65H,10-22H2,1-8H3/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,36+,37-,38-,39+,40+,41+,42+,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | PJJJZSMJLUFJIM-XNZZYCLLSA-N |
| Literature Reference Author | H.YOSHIMITSU,M.NISHIDA,Z.Z.QIAN,Z.H.LEI,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,828(2000) |
| Literature Reference DOI | 10.1248/cpb.48.828 |
| Molecular Weight | 1059.253 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5162 |