| SpectraBase Compound ID | Kw1GEDaK8Vd |
|---|---|
| InChI | InChI=1S/C49H72O16/c1-44(2)19-26-25-13-14-29-46(5)17-16-31(63-43-37(57)38(36(56)39(65-43)40(58)59)64-42-35(55)34(54)33(53)27(22-50)61-42)45(3,4)28(46)15-18-47(29,6)48(25,7)20-30(52)49(26,23-51)21-32(44)62-41(60)24-11-9-8-10-12-24/h8-13,26-39,42-43,50-57H,14-23H2,1-7H3,(H,58,59)/t26?,27-,28?,29?,30+,31+,32+,33-,34+,35-,36+,37-,38+,39+,42+,43-,46+,47-,48-,49-/m1/s1 |
| InChIKey | BCXIIRGZVLQKIH-FCPCJZLOSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C49H72O16 |
| Exact Mass | 916.482036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ltMW6RtrY5 |
|---|---|
| Name | 21-BETA-O-BENZOYLSITAKISOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H72O16 |
| InChI | InChI=1S/C49H72O16/c1-44(2)19-26-25-13-14-29-46(5)17-16-31(63-43-37(57)38(36(56)39(65-43)40(58)59)64-42-35(55)34(54)33(53)27(22-50)61-42)45(3,4)28(46)15-18-47(29,6)48(25,7)20-30(52)49(26,23-51)21-32(44)62-41(60)24-11-9-8-10-12-24/h8-13,26-39,42-43,50-57H,14-23H2,1-7H3,(H,58,59)/t26?,27-,28?,29?,30+,31+,32+,33-,34+,35-,36+,37-,38+,39+,42+,43-,46+,47-,48-,49-/m1/s1 |
| InChIKey | BCXIIRGZVLQKIH-FCPCJZLOSA-N |
| Literature Reference Author | W.YE,X.LIN,Q.ZHANG,C.T.CHE,S.ZHAO |
| Literature Reference Citation | J.NAT.PROD.,64,232(2001) |
| Literature Reference DOI | 10.1021/np0004451 |
| Molecular Weight | 917.101 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWRU3878 |