![AFEROSIDE-A;3-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-APIOFURANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL]-25(R)-SPIROST-5-EN-3-BETA-OL](/api/spectrum/4keYfxTXH2M/structure.png?h=300&w=458 "AFEROSIDE-A;3-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-APIOFURANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL]-25(R)-SPIROST-5-EN-3-BETA-OL")
| SpectraBase Compound ID | AK6HHcWDtyP |
|---|---|
| InChI | InChI=1S/C44H70O16/c1-20-8-13-44(54-17-20)21(2)30-28(60-44)15-27-25-7-6-23-14-24(9-11-41(23,4)26(25)10-12-42(27,30)5)56-39-36(59-38-33(49)32(48)31(47)22(3)55-38)34(50)35(29(16-45)57-39)58-40-37(51)43(52,18-46)19-53-40/h6,20-22,24-40,45-52H,7-19H2,1-5H3/t20-,21-,22-,24-,25?,26?,27?,28?,29+,30?,31-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42-,43+,44+/m0/s1 |
| InChIKey | BBQWPDKSGYVBHY-XTOCVJGVSA-N |
| Mol Weight | 855.0 g/mol |
| Molecular Formula | C44H70O16 |
| Exact Mass | 854.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4keYfxTXH2M |
|---|---|
| Name | AFEROSIDE-A;3-O-[[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[BETA-D-APIOFURANOSYL-(1->4)]-BETA-D-GLUCOPYRANOSYL]-25(R)-SPIROST-5-EN-3-BETA-OL |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O16 |
| InChI | InChI=1S/C44H70O16/c1-20-8-13-44(54-17-20)21(2)30-28(60-44)15-27-25-7-6-23-14-24(9-11-41(23,4)26(25)10-12-42(27,30)5)56-39-36(59-38-33(49)32(48)31(47)22(3)55-38)34(50)35(29(16-45)57-39)58-40-37(51)43(52,18-46)19-53-40/h6,20-22,24-40,45-52H,7-19H2,1-5H3/t20-,21-,22-,24-,25?,26?,27?,28?,29+,30?,31-,32+,33+,34-,35+,36+,37-,38-,39+,40-,41-,42-,43+,44+/m0/s1 |
| InChIKey | BBQWPDKSGYVBHY-XTOCVJGVSA-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 | 855.030 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWCP8650 |