| SpectraBase Compound ID | K8zS9rHhBbP |
|---|---|
| InChI | InChI=1S/C44H74O21/c1-8-44(7,65-43-37(56)33(52)30(49)26(17-45)62-43)16-10-12-20(2)14-15-25(46)22(4)13-9-11-21(3)18-58-41-38(57)34(53)39(64-42-36(55)32(51)29(48)24(6)61-42)27(63-41)19-59-40-35(54)31(50)28(47)23(5)60-40/h8,11-12,23-43,45-57H,1,4,9-10,13-19H2,2-3,5-7H3/b20-12+,21-11-/t23-,24-,25?,26+,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+/m0/s1 |
| InChIKey | KRDYZZPHLIFPGG-NQAKCCDDSA-N |
| Mol Weight | 939.1 g/mol |
| Molecular Formula | C44H74O21 |
| Exact Mass | 938.472259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 40bQ36pZSCH |
|---|---|
| Name | CAPSIANOSIDE-XVII |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H74O21 |
| InChI | InChI=1S/C44H74O21/c1-8-44(7,65-43-37(56)33(52)30(49)26(17-45)62-43)16-10-12-20(2)14-15-25(46)22(4)13-9-11-21(3)18-58-41-38(57)34(53)39(64-42-36(55)32(51)29(48)24(6)61-42)27(63-41)19-59-40-35(54)31(50)28(47)23(5)60-40/h8,11-12,23-43,45-57H,1,4,9-10,13-19H2,2-3,5-7H3/b20-12+,21-11-/t23-,24-,25?,26+,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+/m0/s1 |
| InChIKey | KRDYZZPHLIFPGG-NQAKCCDDSA-N |
| Literature Reference Author | J.H.LEE,N.KIYOTA,T.IKEDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,582(2008) |
| Literature Reference DOI | 10.1248/cpb.56.582 |
| Molecular Weight | 939.059 g/mol |
| Sample ID | 1545 |
| Solvent | CD3OD |