Spektraris NMR
13(S)-Hydroxystemodane
Common Name: 13(S)-Hydroxystemodane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O/c1-17(2)8-5-9-18(3)16(17)7-6-14-12-15-13-20(14,18)11-10-19(15,4)21/h14-16,21H,5-13H2,1-4H3/t14-,15-,16-,18-,19-,20+/m0/s1
InChIKey: InChIKey=ODCPNBCPLWJVQI-WKSOIMLMSA-N
Formula: C20H34O1
Molecular Weight: 290.484108
Exact Mass: 290.260966
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) | 36.3 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 41.9 |
| 4 (C) | 33.2 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 36.7 |
| 8 (CH) | 37.2 |
| 9 (C) | 50 |
| 10 (C) | 38.4 |
| 11 (CH2) | 27.6 |
| 12 (CH2) | 32.8 |
| 13 (C) | 72.5 |
| 14 (CH) | 46.2 |
| 15 (CH2) | 38.1 |
| 16 (CH2) | 29.9 |
| 17 (CH3) | 28.1 |
| 18 (CH3) | 34.5 |
| 19 (CH3) | 22.9 |
| 20 (CH3) | 18.9 |
