| SpectraBase Compound ID | 6HZKKb8l6bx |
|---|---|
| InChI | InChI=1S/C52H84O23/c1-21-29(57)32(60)36(64)44(70-21)73-38-31(59)25(56)18-69-45(38)74-39-34(62)33(61)37(42(66)67)72-46(39)71-28-11-12-49(4)26(50(28,5)20-54)10-13-52(7)27(49)9-8-22-23-16-47(2,19-53)40(65)41(48(23,3)14-15-51(22,52)6)75-43-35(63)30(58)24(55)17-68-43/h8,21,23-41,43-46,53-65H,9-20H2,1-7H3,(H,66,67)/t21-,23-,24-,25-,26?,27?,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38+,39+,40-,41+,43+,44-,45-,46+,47+,48+,49-,50+,51+,52+/m0/s1 |
| InChIKey | BHKMCAUAMJVDNK-WVEFLCIJSA-N |
| Mol Weight | 1077.2 g/mol |
| Molecular Formula | C52H84O23 |
| Exact Mass | 1076.540339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3vKg8x4bwYB |
|---|---|
| Name | KUDZUSAPONIN-A1;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-ARABINOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-KUDZUSAPOGENOL-A-22-O-BETA-D-XYLOPYRANO |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H84O23 |
| InChI | InChI=1S/C52H84O23/c1-21-29(57)32(60)36(64)44(70-21)73-38-31(59)25(56)18-69-45(38)74-39-34(62)33(61)37(42(66)67)72-46(39)71-28-11-12-49(4)26(50(28,5)20-54)10-13-52(7)27(49)9-8-22-23-16-47(2,19-53)40(65)41(48(23,3)14-15-51(22,52)6)75-43-35(63)30(58)24(55)17-68-43/h8,21,23-41,43-46,53-65H,9-20H2,1-7H3,(H,66,67)/t21-,23-,24-,25-,26?,27?,28-,29-,30+,31-,32+,33-,34-,35-,36+,37-,38+,39+,40-,41+,43+,44-,45-,46+,47+,48+,49-,50+,51+,52+/m0/s1 |
| InChIKey | BHKMCAUAMJVDNK-WVEFLCIJSA-N |
| Literature Reference Author | T.ARAO,J.KINJO,T.NOHARA,R.ISOBE |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,362(1997) |
| Literature Reference DOI | 10.1248/cpb.45.362 |
| Molecular Weight | 1077.225 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN28728 |