Spektraris NMR
7b,17-Dihydroxystemod-12-en-2-one
Common Name: 7b,17-Dihydroxystemod-12-en-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-18(2)9-14(22)10-19(3)17(18)7-16(23)15-6-13-8-20(15,19)5-4-12(13)11-21/h4,13,15-17,21,23H,5-11H2,1-3H3/t13-,15+,16-,17-,19-,20+/m0/s1
InChIKey: InChIKey=CBQUMHYLVNBYOF-HMCHMAKXSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martin, G.D., Reynolds, W.F., Reese, P.B. Phytochemistry (2004) 65, 701-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemodanes; 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) | 50.7 |
| 2 (C) | 211.6 |
| 3 (CH2) | 55.9 |
| 4 (C) | 38.8 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 31.7 |
| 7 (CH) | 77.2 |
| 8 (CH) | 52.3 |
| 9 (C) | 52.1 |
| 10 (C) | 44.9 |
| 11 (CH2) | 36.9 |
| 12 (CH) | 118.1 |
| 13 (C) | 149.5 |
| 14 (CH) | 35.2 |
| 15 (CH2) | 42.8 |
| 16 (CH2) | 35.2 |
| 17 (CH2) | 64.7 |
| 18 (CH3) | 34.3 |
| 19 (CH3) | 24.1 |
| 20 (CH3) | 17.5 |
