Spektraris NMR
Solidagonal acid methyl ester
Common Name: Solidagonal acid methyl ester
Synonyms: Solidagonal acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C21H32O3/c1-14(11-19(23)24-6)7-9-20(4)15(2)8-10-21(5)16(3)17(13-22)12-18(20)21/h11,13,15,18H,7-10,12H2,1-6H3/b14-11+/t15-,18-,20+,21+/m1/s1
InChIKey: InChIKey=ONUPBQAYHJMKJJ-ZQTZVFAOSA-N
Formula: C21H32O3
Molecular Weight: 332.477773
Exact Mass: 332.235145
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 : Abeo-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) | 34 |
| 2 (C) | 137.1 |
| 3 (CH) | 188.6 |
| 4 (C) | 172 |
| 5 (C) | 50.8 |
| 6 (CH2) | 28.3 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 37.3 |
| 9 (C) | 38 |
| 10 (CH) | 54 |
| 11 (CH2) | 37.9 |
| 12 (CH2) | 34.8 |
| 13 (C) | 161 |
| 14 (CH) | 115 |
| 15 (C) | 167.2 |
| 16 (CH3) | 19.2 |
| 17 (CH3) | 15.1 |
| 18 (CH3) | 9.7 |
| 19 (CH3) | 18 |
| 20 (CH3) | 17.1 |
| 15a (CH3) | 50.8 |
