| SpectraBase Compound ID | 6mT1uRLg1OC |
|---|---|
| InChI | InChI=1S/C36H60O10/c1-20(18-43-22(3)37)8-7-9-21(2)26-10-11-27-25-16-30(39)36(42)17-24(12-15-35(36,6)28(25)13-14-34(26,27)5)46-33-32(41)31(40)29(19-44-33)45-23(4)38/h20-21,24-33,39-42H,7-19H2,1-6H3/t20?,21-,24+,25+,26-,27+,28+,29-,30-,31-,32+,33+,34?,35?,36+/m1/s1 |
| InChIKey | WHLJRKVSRAHTRJ-OGVWEQOVSA-N |
| Mol Weight | 652.9 g/mol |
| Molecular Formula | C36H60O10 |
| Exact Mass | 652.418648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xEPy4x48Tn |
|---|---|
| Name | RIISEIN-B;3-BETA-O-(4'-O-ACETYL-BETA-D-ARABINOPYRANOSYL)-25-XI-CHOLESTANE-3-BETA,5-ALPHA,6-BETA,26-TETRAOL-26-ACETATE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H60O10 |
| InChI | InChI=1S/C36H60O10/c1-20(18-43-22(3)37)8-7-9-21(2)26-10-11-27-25-16-30(39)36(42)17-24(12-15-35(36,6)28(25)13-14-34(26,27)5)46-33-32(41)31(40)29(19-44-33)45-23(4)38/h20-21,24-33,39-42H,7-19H2,1-6H3/t20?,21-,24+,25+,26-,27+,28+,29-,30-,31-,32+,33+,34?,35?,36+/m1/s1 |
| InChIKey | WHLJRKVSRAHTRJ-OGVWEQOVSA-N |
| Literature Reference Author | C.Y.LIU,T.L.HWANG,M.R.LIN,Y.H.CHEN,Y.C.CHANG,L.S.FANG,W.H.WA NG,Y.C.WU |
| Literature Reference Citation | MAR.DRUGS,8,2014(2010) |
| Literature Reference DOI | 10.3390/md8072014 |
| Molecular Weight | 652.866 g/mol |
| Source File Reference | UWIR6273 |