Spektraris NMR
2a,7b,13(S)-Trihydroxystemodane
Common Name: 2a,7b,13(S)-Trihydroxystemodane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(2)10-13(21)11-18(3)16(17)8-15(22)14-7-12-9-20(14,18)6-5-19(12,4)23/h12-16,21-23H,5-11H2,1-4H3/t12-,13-,14+,15-,16-,18-,19-,20+/m0/s1
InChIKey: InChIKey=XQVVNUQPNCRRAK-NKYOLRSBSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
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) | 46.5 |
| 2 (CH) | 69.5 |
| 3 (CH2) | 51.3 |
| 4 (C) | 35.3 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 32.2 |
| 7 (CH) | 80.1 |
| 8 (CH) | 47.5 |
| 9 (C) | 52.7 |
| 10 (C) | 41 |
| 11 (CH2) | 29.1 |
| 12 (CH2) | 33.3 |
| 13 (C) | 72.9 |
| 14 (CH) | 47.4 |
| 15 (CH2) | 37.4 |
| 16 (CH2) | 32.5 |
| 17 (CH3) | 28.2 |
| 18 (CH3) | 35 |
| 19 (CH3) | 24.2 |
| 20 (CH3) | 20.5 |
