Spektraris NMR
12-Methyl-5-dehydrohorminone
Common Name: 12-Methyl-5-dehydrohorminone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O4/c1-11(2)14-17(23)15-12(22)10-13-20(3,4)8-7-9-21(13,5)16(15)18(24)19(14)25-6/h10-12,22H,7-9H2,1-6H3/t12-,21+/m1/s1
InChIKey: InChIKey=RUONQJYGQKYSSL-GTJPDFRWSA-N
Formula: C21H28O4
Molecular Weight: 344.445415
Exact Mass: 344.198759
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Topcu, G., Johansson, C.B. J Nat Prod (1997) 60, 1275-80
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) | 37.4 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 40.8 |
| 4 (C) | 33.4 |
| 5 (C) | 127.7 |
| 6 (CH) | 106.7 |
| 7 (CH) | 77.8 |
| 8 (C) | 124.7 |
| 9 (C) | 142.6 |
| 10 (C) | 41.2 |
| 11 (C) | 183.2 |
| 12 (C) | 154.5 |
| 13 (C) | 129.4 |
| 14 (C) | 181.4 |
| 15 (CH) | 26.4 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 21.6 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 20.1 |
| 12a (CH3) | 55.9 |
