| SpectraBase Compound ID | 7AVnT5cMvyB |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-22-31(57)34(60)39(65)45(69-22)74-41-35(61)33(59)26(19-54)70-46(41)75-42-37(63)36(62)40(43(66)67)73-47(42)71-29-12-13-50(5)27(51(29,6)21-55)11-14-53(8)28(50)10-9-23-24-17-48(2,3)18-30(49(24,4)15-16-52(23,53)7)72-44-38(64)32(58)25(56)20-68-44/h9,22,24-42,44-47,54-65H,10-21H2,1-8H3,(H,66,67)/t22-,24-,25-,26+,27+,28+,29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,39+,40-,41+,42+,44+,45-,46-,47+,49+,50-,51+,52+,53+/m0/s1 |
| InChIKey | ZKJLHEOYIFBWLR-XYUWFJPESA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Y292VVexaA |
|---|---|
| Name | #GM-4;KUDZUSAPONIN-SB1;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-SOYASAPOGENOL-B-22-O-BETA-D-XYLOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-22-31(57)34(60)39(65)45(69-22)74-41-35(61)33(59)26(19-54)70-46(41)75-42-37(63)36(62)40(43(66)67)73-47(42)71-29-12-13-50(5)27(51(29,6)21-55)11-14-53(8)28(50)10-9-23-24-17-48(2,3)18-30(49(24,4)15-16-52(23,53)7)72-44-38(64)32(58)25(56)20-68-44/h9,22,24-42,44-47,54-65H,10-21H2,1-8H3,(H,66,67)/t22-,24-,25-,26+,27+,28+,29-,30+,31-,32+,33-,34+,35-,36-,37-,38-,39+,40-,41+,42+,44+,45-,46-,47+,49+,50-,51+,52+,53+/m0/s1 |
| InChIKey | ZKJLHEOYIFBWLR-XYUWFJPESA-N |
| Literature Reference Author | Y.TSUNODA,M.OKAWA,J.KINJO,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1138(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1138 |
| Molecular Weight | 1075.253 g/mol |
| Sample ID | 2044 |
| Solvent | C5D5N |