Spektraris NMR
methyl Carnosate
Common Name: methyl Carnosate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(24)25-5)16(13)18(23)17(14)22/h11-12,15,22-23H,6-10H2,1-5H3/t15-,21+/m0/s1
InChIKey: InChIKey=IIJLVJMZYPZQLW-YCRPNKLZSA-N
Formula: C21H30O4
Molecular Weight: 346.461296
Exact Mass: 346.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cantrell, C.L., Richheimer, S.L., Nicholas, G.M., Schmidt, B.K., Bailey, D.T. J Nat Prod (2005) 68, 98-100
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 35 |
| 2 (CH2) | 20.4 |
| 3 (CH2) | 42.1 |
| 4 (C) | 34.4 |
| 5 (CH) | 54 |
| 6 (CH2) | 19.3 |
| 7 (CH2) | 31.7 |
| 8 (C) | 128.5 |
| 9 (C) | 122.1 |
| 10 (C) | 49.1 |
| 11 (C) | 142.1 |
| 12 (C) | 141.7 |
| 13 (C) | 133.4 |
| 14 (CH) | 119.2 |
| 15 (CH) | 27.2 |
| 16 (CH3) | 22.6 |
| 17 (CH3) | 22.2 |
| 18 (CH3) | 32.7 |
| 19 (CH3) | 21.8 |
| 20 (C) | 178.9 |
| 20a (CH3) | 52.2 |
