| SpectraBase Compound ID | 6mncpc1raku |
|---|---|
| InChI | InChI=1S/C45H70O14/c1-12-22(3)39(49)56-36-37-42(8)17-15-28(55-31-21-30(51-10)34(26(7)53-31)57-41-33(48)35(52-11)32(47)25(6)54-41)20-27(42)14-18-44(37)45(59-44)19-16-29(24(5)46)43(45,9)38(36)58-40(50)23(4)13-2/h13,22,25-38,41,47-48H,12,14-21H2,1-11H3/b23-13+/t22?,25-,26+,27-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37+,38+,41+,42-,43-,44-,45+/m0/s1 |
| InChIKey | RZEWOQQBEXNIGQ-FXKODDIVSA-N |
| Mol Weight | 835.0 g/mol |
| Molecular Formula | C45H70O14 |
| Exact Mass | 834.476557 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 59uN8Ax1bbF |
|---|---|
| Name | MARDENOSIDE-A;3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-11-ALPHA-O-2-METHYLBUTYRYL-12-BETA-O-TIGLOYLTENACIGENIN-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O14 |
| InChI | InChI=1S/C45H70O14/c1-12-22(3)39(49)56-36-37-42(8)17-15-28(55-31-21-30(51-10)34(26(7)53-31)57-41-33(48)35(52-11)32(47)25(6)54-41)20-27(42)14-18-44(37)45(59-44)19-16-29(24(5)46)43(45,9)38(36)58-40(50)23(4)13-2/h13,22,25-38,41,47-48H,12,14-21H2,1-11H3/b23-13+/t22?,25-,26+,27-,28-,29-,30+,31-,32-,33-,34+,35-,36-,37+,38+,41+,42-,43-,44-,45+/m0/s1 |
| InChIKey | RZEWOQQBEXNIGQ-FXKODDIVSA-N |
| Literature Reference Author | J.DENG,Z.LIAO,D.CHEN |
| Literature Reference Citation | PHYTOCHEM.,66,1040(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.03.018 |
| Molecular Weight | 835.042 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI25507 |