![AFEROSIDE-B;3-O-[[4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-APIOFURANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL]-25(R)-SPIROST-5-EN-3-BETA-OL](/api/spectrum/F2FXxUxrd39/structure.png?h=300&w=458 "AFEROSIDE-B;3-O-[[4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-APIOFURANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL]-25(R)-SPIROST-5-EN-3-BETA-OL")
| SpectraBase Compound ID | 14tNOfYgBt9 |
|---|---|
| InChI | InChI=1S/C46H72O17/c1-21-9-14-46(56-18-21)22(2)32-30(63-46)16-29-27-8-7-25-15-26(10-12-43(25,5)28(27)11-13-44(29,32)6)59-41-38(62-40-34(51)33(50)36(23(3)57-40)58-24(4)49)35(52)37(31(17-47)60-41)61-42-39(53)45(54,19-48)20-55-42/h7,21-23,26-42,47-48,50-54H,8-20H2,1-6H3/t21-,22-,23-,26-,27?,28?,29?,30?,31+,32?,33-,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,45+,46+/m0/s1 |
| InChIKey | VTZQIDMQFKKHPM-PJARRZJKSA-N |
| Mol Weight | 897.1 g/mol |
| Molecular Formula | C46H72O17 |
| Exact Mass | 896.476951 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2FXxUxrd39 |
|---|---|
| Name | AFEROSIDE-B;3-O-[[4-O-ACETYL-ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-APIOFURANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL]-25(R)-SPIROST-5-EN-3-BETA-OL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H72O17 |
| InChI | InChI=1S/C46H72O17/c1-21-9-14-46(56-18-21)22(2)32-30(63-46)16-29-27-8-7-25-15-26(10-12-43(25,5)28(27)11-13-44(29,32)6)59-41-38(62-40-34(51)33(50)36(23(3)57-40)58-24(4)49)35(52)37(31(17-47)60-41)61-42-39(53)45(54,19-48)20-55-42/h7,21-23,26-42,47-48,50-54H,8-20H2,1-6H3/t21-,22-,23-,26-,27?,28?,29?,30?,31+,32?,33-,34+,35-,36-,37+,38+,39-,40-,41+,42-,43-,44-,45+,46+/m0/s1 |
| InChIKey | VTZQIDMQFKKHPM-PJARRZJKSA-N |
| Literature Reference Author | R.C.LIN,M.A.LACAILLE-DUBOIS,B.HANQUET,M.CORREIA,B.CHAUFFERT |
| Literature Reference Citation | J.NAT.PROD.,60,1165(1997) |
| Literature Reference DOI | 10.1021/np9702190 |
| Molecular Weight | 897.067 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP8649 |