Spektraris NMR
13,16b-Dihydroxystemodan-2-one
Common Name: 13,16b-Dihydroxystemodan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17(2)10-13(21)11-18(3)15(17)6-5-12-9-14-16(22)20(12,18)8-7-19(14,4)23/h12,14-16,22-23H,5-11H2,1-4H3/t12-,14-,15-,16-,18-,19-,20-/m0/s1
InChIKey: InChIKey=ORPUXFWWFNYFRQ-BVBKGSMZSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, A.R., Reese, P.B. Phytochemistry (2002) 59, 57-62
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) | 50.8 |
| 2 (C) | 215 |
| 3 (CH2) | 56 |
| 4 (C) | 39.1 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 22 |
| 7 (CH2) | 36.7 |
| 8 (CH) | 37.1 |
| 9 (C) | 53.1 |
| 10 (C) | 43.9 |
| 11 (CH2) | 28.9 |
| 12 (CH2) | 32.4 |
| 13 (C) | 74.9 |
| 14 (CH) | 45.7 |
| 15 (CH2) | 37.3 |
| 16 (CH) | 79.9 |
| 17 (CH3) | 28.5 |
| 18 (CH3) | 35 |
| 19 (CH3) | 24.6 |
| 20 (CH3) | 19.9 |
