Spektraris NMR
Methyl tetrahydroisosarcoate
Common Name: Methyl tetrahydroisosarcoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-13(2)18-12-19(23)15(4)8-6-7-14(3)9-17(22)10-16(11-20(18)24)21(25)26-5/h11,13-15,18H,6-10,12H2,1-5H3/b16-11-/t14-,15+,18-/m0/s1
InChIKey: InChIKey=OWHOHGUNUYXGTA-SYKARXCVSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bishara, A., Rudi, A., Benayahu, Y., Kashman, Y. J Nat Prod (2007) 70, 1951-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (CH) | 53.5 |
| 2 (C) | 205.7 |
| 3 (CH) | 133.4 |
| 4 (C) | 138.8 |
| 5 (CH2) | 41.9 |
| 6 (C) | 206 |
| 7 (CH2) | 50.7 |
| 8 (CH) | 28.3 |
| 9 (CH2) | 37.9 |
| 10 (CH2) | 25.7 |
| 11 (CH2) | 34.7 |
| 12 (CH) | 48.2 |
| 13 (C) | 213.3 |
| 14 (CH2) | 36.3 |
| 15 (CH) | 29.9 |
| 16 (CH3) | 19.6 |
| 17 (CH3) | 21 |
| 18 (C) | 167.4 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 17 |
| 18a (CH3) | 52.8 |
