| SpectraBase Compound ID | 6S9YCPGxM5S |
|---|---|
| InChI | InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3/b13-9-/t12?,15-,16+,17-,20+,21-/m0/s1 |
| InChIKey | LEUUHZDDLPUPTN-IIBXBYIXSA-N |
| Mol Weight | 394.46 g/mol |
| Molecular Formula | C21H30O7 |
| Exact Mass | 394.199153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrMx8jMw9hQ |
|---|---|
| Name | 3-O-METHYLTITHONIN |
| Compound Number | 286 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C21H30O7/c1-6-12(2)18(23)27-16-10-20(11-22)7-8-21(25-5,28-20)13(3)9-15-17(16)14(4)19(24)26-15/h9,12,15-17,22H,4,6-8,10-11H2,1-3,5H3/b13-9-/t12?,15-,16+,17-,20+,21-/m0/s1 |
| InChIKey | LEUUHZDDLPUPTN-IIBXBYIXSA-N |
| Literature Reference | A.UR-RAHMAN,V.U.AHMAD NAT.PROD.VOL.1 |
| Solvent | Chloroform-d |