| SpectraBase Compound ID | Hgkl0mCPi7L |
|---|---|
| InChI | InChI=1S/C57H94O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h6,22-23,25-54,58-73H,7-21H2,1-5H3/t22?,23-,25-,26+,27-,28-,29+,30-,31-,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53+,54+,55-,56-,57?/m0/s1 |
| InChIKey | OTWKACNCVAYEGM-IQLSUPAQSA-N |
| Mol Weight | 1227.4 g/mol |
| Molecular Formula | C57H94O28 |
| Exact Mass | 1226.593162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxM8948W7Xd |
|---|---|
| Name | SIBIRICOSIDE-A;26-O-BETA-D-GLUCOPYRANOSYL-22-O-METHYL-25(S)-FUROST-5-ENE-3-BETA,26-DIOL-3-O-BETA-LYCOTETRAOSIDE;PS-I |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H94O28 |
| InChI | InChI=1S/C57H94O28/c1-22(20-75-50-44(71)40(67)37(64)31(16-58)78-50)8-13-57(74-5)23(2)35-30(85-57)15-28-26-7-6-24-14-25(9-11-55(24,3)27(26)10-12-56(28,35)4)77-52-46(73)42(69)47(34(19-61)81-52)82-54-49(84-53-45(72)41(68)38(65)32(17-59)79-53)48(39(66)33(18-60)80-54)83-51-43(70)36(63)29(62)21-76-51/h6,22-23,25-54,58-73H,7-21H2,1-5H3/t22?,23-,25-,26+,27-,28-,29+,30-,31-,32-,33-,34+,35-,36-,37-,38-,39-,40+,41+,42+,43+,44-,45-,46+,47-,48+,49-,50-,51-,52+,53+,54+,55-,56-,57?/m0/s1 |
| InChIKey | OTWKACNCVAYEGM-IQLSUPAQSA-N |
| Literature Reference Author | K.H.SON,J.C.DO,S.S.KANG |
| Literature Reference Citation | J.NAT.PROD.,53,333(1990) |
| Literature Reference DOI | 10.1021/np50068a010 |
| Molecular Weight | 1227.357 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED17527 |