Spektraris NMR
13(R)-Hydroxystemodan-2-one
Common Name: 13(R)-Hydroxystemodan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-17(2)11-15(21)12-18(3)16(17)6-5-13-9-14-10-20(13,18)8-7-19(14,4)22/h13-14,16,22H,5-12H2,1-4H3/t13-,14-,16-,18-,19+,20+/m0/s1
InChIKey: InChIKey=MTHCEQRYJNYWKN-DZJPNTAKSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Martin, G.D., Reynolds, W.F., Reese, P.B. Phytochemistry (2004) 65, 2211-7
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) | 51.3 |
| 2 (C) | 212.2 |
| 3 (CH2) | 55.8 |
| 4 (C) | 39.1 |
| 5 (CH) | 47.4 |
| 6 (CH2) | 22.5 |
| 7 (CH2) | 36 |
| 8 (CH) | 37.5 |
| 9 (C) | 50.5 |
| 10 (C) | 44.5 |
| 11 (CH2) | 29.3 |
| 12 (CH2) | 33.2 |
| 13 (C) | 72.4 |
| 14 (CH) | 46.7 |
| 15 (CH2) | 35.8 |
| 16 (CH2) | 33.5 |
| 17 (CH3) | 26.2 |
| 18 (CH3) | 34.5 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 19 |
