| SpectraBase Compound ID | 85AYopwHsNB |
|---|---|
| InChI | InChI=1S/C42H68O13/c1-21(20-52-37-35(50)33(48)31(46)26(18-43)53-37)9-8-10-22(2)23-15-16-40(5)28-13-11-24-25(42(28,7)29(45)17-41(23,40)6)12-14-30(39(24,3)4)55-38-36(51)34(49)32(47)27(19-44)54-38/h9,11,22-23,25-28,30-38,43-44,46-51H,8,10,12-20H2,1-7H3/b21-9+/t22-,23?,25-,26-,27-,28+,30+,31-,32-,33+,34+,35-,36-,37-,38+,40+,41-,42-/m1/s1 |
| InChIKey | HGUAKHDCVOZXSX-PFLZJHLCSA-N |
| Mol Weight | 781.0 g/mol |
| Molecular Formula | C42H68O13 |
| Exact Mass | 780.465992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DfybRT4ZSTF |
|---|---|
| Name | SCANDENOSIDE-R8;CARNOSIFLOGENIN-A-3-O-BETA-D-GLUCOPYRANOSYL-26-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O13 |
| InChI | InChI=1S/C42H68O13/c1-21(20-52-37-35(50)33(48)31(46)26(18-43)53-37)9-8-10-22(2)23-15-16-40(5)28-13-11-24-25(42(28,7)29(45)17-41(23,40)6)12-14-30(39(24,3)4)55-38-36(51)34(49)32(47)27(19-44)54-38/h9,11,22-23,25-28,30-38,43-44,46-51H,8,10,12-20H2,1-7H3/b21-9+/t22-,23?,25-,26-,27-,28+,30+,31-,32-,33+,34+,35-,36-,37-,38+,40+,41-,42-/m1/s1 |
| InChIKey | HGUAKHDCVOZXSX-PFLZJHLCSA-N |
| Literature Reference Author | H.KUBO,K.OHTANI,R.KASAI,K.YAMASAKI,R.L.NIE,O.TANAKA |
| Literature Reference Citation | PHYTOCHEM.,41,1169(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00722-9 |
| Molecular Weight | 780.994 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU4292 |