Spektraris NMR
(?)-Methyl solidagonate
Common Name: (?)-Methyl solidagonate
Synonyms: (?)-Methyl solidagonate
CAS Registry Number:
InChI: InChI=1S/C23H36O4/c1-15(13-21(25)26-7)11-12-22(5)17(3)19(27-18(4)24)14-23(6)16(2)9-8-10-20(22)23/h9,13,17,19-20H,8,10-12,14H2,1-7H3/b15-13+/t17-,19-,20-,22+,23+/m1/s1
InChIKey: InChIKey=REDDUHSMHMZNBA-ZZNHKBEWSA-N
Formula: C23H36O4
Molecular Weight: 376.530412
Exact Mass: 376.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tori, M., Katto, A., Sono, M. Phytochemistry (1999) 52, 487-93
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 17.8 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 120 |
| 4 (C) | 144.3 |
| 5 (C) | 37.2 |
| 6 (CH2) | 39.8 |
| 7 (CH) | 75.1 |
| 8 (CH) | 38.1 |
| 9 (C) | 38.3 |
| 10 (CH) | 46.2 |
| 11 (CH2) | 37.2 |
| 12 (CH2) | 34.6 |
| 13 (C) | 160.9 |
| 14 (CH) | 115 |
| 15 (C) | 167.1 |
| 16 (CH3) | 19.1 |
| 17 (CH3) | 12 |
| 18 (CH3) | 18 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 19.5 |
| 7a (C) | 170.6 |
| 7b (CH3) | 21.4 |
| 15a (CH3) | 50.7 |
