| SpectraBase Compound ID | 6IeLygtKVRE |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-31(2)14-15-36(30(43)44)19(16-31)18-8-9-21-33(5)12-11-23(45-29-26(40)24(38)25(39)27(46-29)28(41)42)32(3,4)20(33)10-13-34(21,6)35(18,7)17-22(36)37/h8,19-27,29,37-40H,9-17H2,1-7H3,(H,41,42)(H,43,44)/t19-,20-,21+,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36+/m0/s1 |
| InChIKey | AJLARCXOASFHQQ-XEMRWERNSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C36H56O10 |
| Exact Mass | 648.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H6L5JC3KMUi |
|---|---|
| Name | PROSAPOGENIN;3-O-BETA-D-GLUCURONOPYRANOSYL-(3-BETA,16-ALPHA)-DIHYDROXY-OLEAN-12-EN-28-OIC-ACID |
| Compound Number | 1 B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-31(2)14-15-36(30(43)44)19(16-31)18-8-9-21-33(5)12-11-23(45-29-26(40)24(38)25(39)27(46-29)28(41)42)32(3,4)20(33)10-13-34(21,6)35(18,7)17-22(36)37/h8,19-27,29,37-40H,9-17H2,1-7H3,(H,41,42)(H,43,44)/t19-,20-,21+,22+,23-,24-,25-,26+,27-,29+,33-,34+,35+,36+/m0/s1 |
| InChIKey | AJLARCXOASFHQQ-XEMRWERNSA-N |
| Literature Reference Author | M.USHIJIMA,N.KOMOTO,Y.SUGIZONO,I.MIZUNO,M.SUMIHIRO,M.ICHIKAW A,M.HAYAMA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,308(2008) |
| Literature Reference DOI | 10.1248/cpb.56.308 |
| Molecular Weight | 648.835 g/mol |
| Sample ID | 1309 |
| Solvent | C5D5N |