| SpectraBase Compound ID | FLRwvEm2ynq |
|---|---|
| InChI | InChI=1S/C45H70O20/c1-17-16-58-45(12-24(17)49)18(2)30-25(65-45)10-23-21-6-5-19-9-20(7-8-43(19,3)22(21)11-29(50)44(23,30)4)59-40-37(57)35(55)38(28(15-48)62-40)63-42-39(34(54)32(52)27(14-47)61-42)64-41-36(56)33(53)31(51)26(13-46)60-41/h5,17-18,20-28,30-42,46-49,51-57H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25+,26+,27+,28-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | HHURHFHNEVCPBD-JJSIMSRGSA-N |
| Mol Weight | 931.0 g/mol |
| Molecular Formula | C45H70O20 |
| Exact Mass | 930.446045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGit89AF3ZT |
|---|---|
| Name | #2;KINGIANOSIDE-I;(24S,25R)-3-BETA,24-DIHYDROXY-SPIROSTAN-5-EN-12-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O20 |
| InChI | InChI=1S/C45H70O20/c1-17-16-58-45(12-24(17)49)18(2)30-25(65-45)10-23-21-6-5-19-9-20(7-8-43(19,3)22(21)11-29(50)44(23,30)4)59-40-37(57)35(55)38(28(15-48)62-40)63-42-39(34(54)32(52)27(14-47)61-42)64-41-36(56)33(53)31(51)26(13-46)60-41/h5,17-18,20-28,30-42,46-49,51-57H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25+,26+,27+,28-,30+,31+,32+,33-,34-,35-,36+,37-,38+,39+,40-,41-,42-,43+,44-,45-/m1/s1 |
| InChIKey | HHURHFHNEVCPBD-JJSIMSRGSA-N |
| Literature Reference Author | H.S.YU,B.P.MA,L.P.KANG,T.ZHANG,F.J.JIANG,J.ZHANG,P.ZOU,Y.ZHA O,C.Q.XIONG,D.W.TAN, |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,1011(2009) |
| Literature Reference DOI | 10.1248/cpb.57.1011 |
| Molecular Weight | 931.039 g/mol |
| Sample ID | 2918 |
| Solvent | C5D5N |