| SpectraBase Compound ID | KQEhIaa1fJM |
|---|---|
| InChI | InChI=1S/C35H56O10/c1-19(8-7-12-30(2,3)45-42)20-11-13-32(5)22-9-10-23-33(6,29(40)41)25(44-28-27(39)26(38)21(36)17-43-28)16-24(37)35(23)18-34(22,35)15-14-31(20,32)4/h7,12,19-28,36-39,42H,8-11,13-18H2,1-6H3,(H,40,41)/b12-7+/t19-,20-,21+,22+,23+,24+,25+,26-,27+,28-,31-,32+,33+,34+,35-/m1/s1 |
| InChIKey | XEJAJKBDDYTJEO-LVLDWRAOSA-N |
| Mol Weight | 636.8 g/mol |
| Molecular Formula | C35H56O10 |
| Exact Mass | 636.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3INagqsMQxV |
|---|---|
| Name | MUSAMBIOSIDE-B;(3-BETA-D-XYLOPYRANOSYL)-1-ALPHA,3-BETA-DIHYDROXY-25-HYDROPEROXY-CYCLOART-23-(E)-EN-28-CARBOXYLIC-ACID |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H56O10 |
| InChI | InChI=1S/C35H56O10/c1-19(8-7-12-30(2,3)45-42)20-11-13-32(5)22-9-10-23-33(6,29(40)41)25(44-28-27(39)26(38)21(36)17-43-28)16-24(37)35(23)18-34(22,35)15-14-31(20,32)4/h7,12,19-28,36-39,42H,8-11,13-18H2,1-6H3,(H,40,41)/b12-7+/t19-,20-,21+,22+,23+,24+,25+,26-,27+,28-,31-,32+,33+,34+,35-/m1/s1 |
| InChIKey | XEJAJKBDDYTJEO-LVLDWRAOSA-N |
| Literature Reference Author | D.LACROIX,S.PRADO,A.DEVILLE,S.KRIEF,V.DUMONTET,J.KASENENE,E. MOURAY,C.BORIES,B.BO |
| Literature Reference Citation | PHYTOCHEM.,70,1239(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.06.020 |
| Molecular Weight | 636.824 g/mol |
| Sample ID | 45567 |
| Solvent | CD3OD |