| SpectraBase Compound ID | J7bDE9IiaJN |
|---|---|
| InChI | InChI=1S/C39H60O14/c1-18(40)25-12-15-39-37(25,7)34(50-22(5)42)32(49-21(4)41)33-36(6)13-11-24(16-23(36)10-14-38(33,39)53-39)51-27-17-26(45-8)30(20(3)47-27)52-35-29(44)31(46-9)28(43)19(2)48-35/h19-20,23-35,43-44H,10-17H2,1-9H3/t19-,20+,23-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+/m0/s1 |
| InChIKey | BLRABBHSPXPECV-JGMGLZRBSA-N |
| Mol Weight | 752.9 g/mol |
| Molecular Formula | C39H60O14 |
| Exact Mass | 752.398307 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIG27ULWrjX |
|---|---|
| Name | MARDENOSIDE-F;3-O-6-DEOXY-3-O-METHYL-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-11-ALPHA,12-BETA-DI-O-ACETYL-TENACIGENIN-B |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H60O14 |
| InChI | InChI=1S/C39H60O14/c1-18(40)25-12-15-39-37(25,7)34(50-22(5)42)32(49-21(4)41)33-36(6)13-11-24(16-23(36)10-14-38(33,39)53-39)51-27-17-26(45-8)30(20(3)47-27)52-35-29(44)31(46-9)28(43)19(2)48-35/h19-20,23-35,43-44H,10-17H2,1-9H3/t19-,20+,23-,24-,25-,26+,27-,28-,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+/m0/s1 |
| InChIKey | BLRABBHSPXPECV-JGMGLZRBSA-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 | 752.897 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI25514 |