| SpectraBase Compound ID | enOpsi4ess |
|---|---|
| InChI | InChI=1S/C40H64O11/c1-8-9-27-48-20-36(4)25-13-14-38(6)26(35(25,3)18-23(42)32(36)50-27)11-10-22-31-39(7,47)21(2)12-15-40(31,17-16-37(22,38)5)34(46)51-33-30(45)29(44)28(43)24(19-41)49-33/h10,21,23-33,41-45,47H,8-9,11-20H2,1-7H3/t21-,23-,24-,25-,26-,27?,28-,29+,30-,31-,32+,33+,35+,36+,37-,38-,39-,40+/m1/s1 |
| InChIKey | SQEKYFDIWQKAAZ-OFNSFDBASA-N |
| Mol Weight | 720.9 g/mol |
| Molecular Formula | C40H64O11 |
| Exact Mass | 720.444863 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Gd79I3p1b6 |
|---|---|
| Name | RUBUSSIDE-A;3,23-O-BUTYLIDENE-2-ALPHA,3-BETA,19-ALPHA,23-TETRAHYDROXY-URS-12-EN-28-OIC-ACID-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64O11 |
| InChI | InChI=1S/C40H64O11/c1-8-9-27-48-20-36(4)25-13-14-38(6)26(35(25,3)18-23(42)32(36)50-27)11-10-22-31-39(7,47)21(2)12-15-40(31,17-16-37(22,38)5)34(46)51-33-30(45)29(44)28(43)24(19-41)49-33/h10,21,23-33,41-45,47H,8-9,11-20H2,1-7H3/t21-,23-,24-,25-,26-,27?,28-,29+,30-,31-,32+,33+,35+,36+,37-,38-,39-,40+/m1/s1 |
| InChIKey | SQEKYFDIWQKAAZ-OFNSFDBASA-N |
| Literature Reference Author | M.ONO,M.TATEISHI,H.KOBAYASHI,K.IGOSHI,H.KAMATSU,Y.ITO,T.NOHA RA |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,200(2003) |
| Literature Reference DOI | 10.1248/cpb.51.200 |
| Molecular Weight | 720.942 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS21118 |