| SpectraBase Compound ID | 2SmSHKQzNMF |
|---|---|
| InChI | InChI=1S/C21H32O6/c1-12-8-17(23)21(3)14(19(25)26-4)6-5-7-16(21)20(12,2)10-15(22)13-9-18(24)27-11-13/h9,12,14-17,22-23H,5-8,10-11H2,1-4H3/t12-,14+,15+,16-,17+,20+,21+/m1/s1 |
| InChIKey | BDMPRXRGZXNSLR-WLOBYMLMSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C21H32O6 |
| Exact Mass | 380.219889 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AvnPG69LvLG |
|---|---|
| Name | AJUGALIDE-D;(12S)-METHYL-6-ALPHA,12-DIHYDROXY-4-ALPHA-METHOXYCARBONYL-18-NORNEO-CLEROD-13(14)-EN-15,16-OLIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32O6 |
| InChI | InChI=1S/C21H32O6/c1-12-8-17(23)21(3)14(19(25)26-4)6-5-7-16(21)20(12,2)10-15(22)13-9-18(24)27-11-13/h9,12,14-17,22-23H,5-8,10-11H2,1-4H3/t12-,14+,15+,16-,17+,20+,21+/m1/s1 |
| InChIKey | BDMPRXRGZXNSLR-WLOBYMLMSA-N |
| Literature Reference Author | Y.Y.CHAN |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,164(2005) |
| Literature Reference DOI | 10.1248/cpb.53.164 |
| Molecular Weight | 380.481 g/mol |
| Sample ID | 54686 |
| Solvent | CDCl3 |