Spektraris NMR
12-Methyl-5-dehydroacetylhorminone
Common Name: 12-Methyl-5-dehydroacetylhorminone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O5/c1-12(2)16-19(25)17-14(28-13(3)24)11-15-22(4,5)9-8-10-23(15,6)18(17)20(26)21(16)27-7/h11-12,14H,8-10H2,1-7H3/t14-,23+/m1/s1
InChIKey: InChIKey=KRHKKRFFQDNBIN-FATZIPQQSA-N
Formula: C23H30O5
Molecular Weight: 386.482173
Exact Mass: 386.209324
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) | 37.5 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 40.7 |
| 4 (C) | 33.4 |
| 5 (C) | 127.6 |
| 6 (CH) | 108 |
| 7 (CH) | 76.9 |
| 8 (C) | 124.8 |
| 9 (C) | 142.6 |
| 10 (C) | 41.2 |
| 11 (C) | 183.2 |
| 12 (C) | 154.4 |
| 13 (C) | 129.5 |
| 14 (C) | 182 |
| 15 (CH) | 25.9 |
| 16 (CH3) | 21.5 |
| 17 (CH3) | 21.5 |
| 18 (CH3) | 33 |
| 19 (CH3) | 22 |
| 20 (CH3) | 20.2 |
| 7a (C) | 172.6 |
| 7b (CH3) | 22.3 |
| 12a (CH3) | 55.9 |
