![GOYASAPONIN-III;OLEANOLIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->4)]-3'-O-ACETYL-BETA-D-GLUCOPYRANOSIDURONIC-ACID](/api/spectrum/7ecQOOoAtBe/structure.png?h=300&w=458 "GOYASAPONIN-III;OLEANOLIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->4)]-3'-O-ACETYL-BETA-D-GLUCOPYRANOSIDURONIC-ACID")
| SpectraBase Compound ID | IqVnjKkygnB |
|---|---|
| InChI | InChI=1S/C49H76O19/c1-22(51)63-36-35(66-41-34(57)32(55)31(54)26(20-50)64-41)37(39(58)59)67-42(38(36)68-40-33(56)30(53)25(52)21-62-40)65-29-12-13-46(6)27(45(29,4)5)11-14-48(8)28(46)10-9-23-24-19-44(2,3)15-17-49(24,43(60)61)18-16-47(23,48)7/h9,24-38,40-42,50,52-57H,10-21H2,1-8H3,(H,58,59)(H,60,61)/t24-,25-,26-,27-,28+,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,40+,41+,42+,46-,47+,48+,49-/m0/s1 |
| InChIKey | RMGKGCYVUJKQSS-WWFDKHBXSA-N |
| Mol Weight | 969.1 g/mol |
| Molecular Formula | C49H76O19 |
| Exact Mass | 968.49808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ecQOOoAtBe |
|---|---|
| Name | GOYASAPONIN-III;OLEANOLIC-ACID-3-O-[BETA-D-XYLOPYRANOSYL-(1->2)]-[BETA-D-XYLOPYRANOSYL-(1->4)]-3'-O-ACETYL-BETA-D-GLUCOPYRANOSIDURONIC-ACID |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H76O19 |
| InChI | InChI=1S/C49H76O19/c1-22(51)63-36-35(66-41-34(57)32(55)31(54)26(20-50)64-41)37(39(58)59)67-42(38(36)68-40-33(56)30(53)25(52)21-62-40)65-29-12-13-46(6)27(45(29,4)5)11-14-48(8)28(46)10-9-23-24-19-44(2,3)15-17-49(24,43(60)61)18-16-47(23,48)7/h9,24-38,40-42,50,52-57H,10-21H2,1-8H3,(H,58,59)(H,60,61)/t24-,25-,26-,27-,28+,29-,30+,31-,32+,33-,34-,35-,36-,37-,38+,40+,41+,42+,46-,47+,48+,49-/m0/s1 |
| InChIKey | RMGKGCYVUJKQSS-WWFDKHBXSA-N |
| Literature Reference Author | T.MURAKAMI,A.EMOTO,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,54(2001) |
| Literature Reference DOI | 10.1248/cpb.49.54 |
| Molecular Weight | 969.131 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU31717 |