![SQUARROSIDE-IV;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-2](/api/spectrum/DPDVkMyJpB9/structure.png?h=300&w=458 "SQUARROSIDE-IV;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-2")
| SpectraBase Compound ID | BiahIHwQBtw |
|---|---|
| InChI | InChI=1S/C59H96O26/c1-24-34(63)46(83-49-43(72)40(69)36(65)28(21-61)79-49)45(74)51(77-24)84-47-38(67)30(81-48-42(71)39(68)35(64)27(20-60)78-48)23-76-52(47)82-33-12-13-56(6)31(55(33,4)5)11-14-58(8)32(56)10-9-25-26-19-54(2,3)15-17-59(26,18-16-57(25,58)7)53(75)85-50-44(73)41(70)37(66)29(22-62)80-50/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26-,27+,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,52-,56+,57+,58+,59-/m0/s1 |
| InChIKey | BFDCYJDSZVTVGO-SMHZMJRESA-N |
| Mol Weight | 1221.4 g/mol |
| Molecular Formula | C59H96O26 |
| Exact Mass | 1220.618983 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPDVkMyJpB9 |
|---|---|
| Name | SQUARROSIDE-IV;3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-[BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-BETA-D-XYLOPYRANOSYL-OLEANOLIC-ACID-2 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C59H96O26 |
| InChI | InChI=1S/C59H96O26/c1-24-34(63)46(83-49-43(72)40(69)36(65)28(21-61)79-49)45(74)51(77-24)84-47-38(67)30(81-48-42(71)39(68)35(64)27(20-60)78-48)23-76-52(47)82-33-12-13-56(6)31(55(33,4)5)11-14-58(8)32(56)10-9-25-26-19-54(2,3)15-17-59(26,18-16-57(25,58)7)53(75)85-50-44(73)41(70)37(66)29(22-62)80-50/h9,24,26-52,60-74H,10-23H2,1-8H3/t24-,26-,27+,28+,29+,30+,31-,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,52-,56+,57+,58+,59-/m0/s1 |
| InChIKey | BFDCYJDSZVTVGO-SMHZMJRESA-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 | 1221.396 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5164 |