Spektraris NMR
14-Dihydroxystemodan-2-one
Common Name: 14-Dihydroxystemodan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-16(2)10-14(21)11-17(3)15(16)6-5-13-9-20(23)12-19(13,17)8-7-18(20,4)22/h13,15,22-23H,5-12H2,1-4H3/t13-,15-,17-,18-,19+,20+/m0/s1
InChIKey: InChIKey=CGZCDJAANOSZDW-OLTWBHDESA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lamm, A.S., Reynolds, W.F., Reese, P.B. Phytochemistry (2006) 67, 1088-93
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) | 51.7 |
| 2 (C) | 212.1 |
| 3 (CH2) | 55.8 |
| 4 (C) | 38.8 |
| 5 (CH) | 47.6 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 32.4 |
| 8 (CH) | 43.6 |
| 9 (C) | 51.3 |
| 10 (C) | 44.3 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 43 |
| 13 (C) | 72.4 |
| 14 (C) | 79.6 |
| 15 (CH2) | 47.5 |
| 16 (CH2) | 33.4 |
| 17 (CH3) | 28.1 |
| 18 (CH3) | 34.6 |
| 19 (CH3) | 24 |
| 20 (CH3) | 17.3 |
