Spektraris NMR
2a,7b,13-Trihydroxystemodane
Common Name: 2a,7b,13-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: 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) | 44.2 |
| 2 (CH) | 63.8 |
| 3 (CH2) | 50.5 |
| 4 (C) | 34.6 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 31.3 |
| 7 (CH) | 79.4 |
| 8 (CH) | 46.4 |
| 9 (C) | 50.4 |
| 10 (C) | 40 |
| 11 (CH2) | 27.8 |
| 12 (CH2) | 32.2 |
| 13 (C) | 72.9 |
| 14 (CH) | 46.5 |
| 15 (CH2) | 37.8 |
| 16 (CH2) | 32.7 |
| 17 (CH3) | 28.2 |
| 18 (CH3) | 34.5 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 20 |
