Spektraris NMR
2a,3b,13(S),16a-tetrahydroxystemodane
Common Name: 2a,3b,13(S),16a-tetrahydroxystemodane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-17(2)14-6-5-11-9-12-15(22)20(11,8-7-19(12,4)24)18(14,3)10-13(21)16(17)23/h11-16,21-24H,5-10H2,1-4H3/t11-,12-,13+,14-,15+,16-,18-,19-,20-/m0/s1
InChIKey: InChIKey=PLILJVFREJTXNY-KHIOITSTSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CD3OD
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) | 43 |
| 2 (CH) | 69.6 |
| 3 (CH) | 84.3 |
| 4 (C) | 40.6 |
| 5 (CH) | 49.1 |
| 6 (CH2) | 22.7 |
| 7 (CH2) | 38.2 |
| 8 (CH) | 37.5 |
| 9 (C) | 54.5 |
| 10 (C) | 41 |
| 11 (CH2) | 29.5 |
| 12 (CH2) | 32.8 |
| 13 (C) | 75.5 |
| 14 (CH) | 57 |
| 15 (CH2) | 37.8 |
| 16 (CH) | 79.7 |
| 17 (CH3) | 28.3 |
| 18 (CH3) | 30.8 |
| 19 (CH3) | 21.3 |
| 20 (CH3) | 18.9 |
