Spektraris NMR
6a,13(S)-Dihydroxystemodan-2-one
Common Name: 6a,13(S)-Dihydroxystemodan-2-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-17(2)10-14(21)11-18(3)16(17)15(22)8-12-7-13-9-20(12,18)6-5-19(13,4)23/h12-13,15-16,22-23H,5-11H2,1-4H3/t12-,13+,15+,16+,18+,19+,20-/m1/s1
InChIKey: InChIKey=OWLAORDUGLXNBF-ILVZAAKISA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
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) | 51.3 |
| 2 (C) | 212.3 |
| 3 (CH2) | 56.6 |
| 4 (C) | 39 |
| 5 (CH) | 52.2 |
| 6 (CH) | 69.1 |
| 7 (CH2) | 45.8 |
| 8 (CH) | 36.5 |
| 9 (C) | 49.7 |
| 10 (C) | 45.3 |
| 11 (CH2) | 27.8 |
| 12 (CH2) | 32.7 |
| 13 (C) | 72.1 |
| 14 (CH) | 46.1 |
| 15 (CH2) | 38.2 |
| 16 (CH2) | 30.5 |
| 17 (CH3) | 28.2 |
| 18 (CH3) | 37.3 |
| 19 (CH3) | 25 |
| 20 (CH3) | 19.6 |
