Spektraris NMR
13,18-Dihydroxystemodan-2-one
Common Name: 13,18-Dihydroxystemodan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17(12-21)10-15(22)11-18(2)16(17)5-4-13-8-14-9-20(13,18)7-6-19(14,3)23/h13-14,16,21,23H,4-12H2,1-3H3/t13-,14-,16-,17-,18-,19-,20+/m0/s1
InChIKey: InChIKey=JDIFKLXULYXVHI-UMWMELAKSA-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) | 50.3 |
| 2 (C) | 213.7 |
| 3 (CH2) | 51.5 |
| 4 (C) | 43.6 |
| 5 (CH) | 39.9 |
| 6 (CH2) | 22.8 |
| 7 (CH2) | 36.2 |
| 8 (CH) | 37.7 |
| 9 (C) | 50.4 |
| 10 (C) | 44.6 |
| 11 (CH2) | 28.4 |
| 12 (CH2) | 33.1 |
| 13 (C) | 72.7 |
| 14 (CH) | 46.2 |
| 15 (CH2) | 38.6 |
| 16 (CH2) | 30.9 |
| 17 (CH3) | 28.7 |
| 18 (CH2) | 71 |
| 19 (CH3) | 20.7 |
| 20 (CH3) | 20 |
