Spektraris NMR
2a,13,19-Trihydroxystemarane
Common Name: 2a,13,19-Trihydroxystemarane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-17(12-21)10-15(22)11-18(2)16(17)5-4-14-8-19(3,23)13-6-7-20(14,18)9-13/h13-16,21-23H,4-12H2,1-3H3/t13-,14+,15+,16+,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=GCQBGRQPDKXULW-JKOQSOILSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, A.R., Ruddock, P.L., Lamm, A.S., Reynolds, W.F., Reese, P.B. Phytochemistry (2005) 66, 1898-902
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Stemaranes; 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) | 41.7 |
| 2 (CH) | 65.7 |
| 3 (CH2) | 44.8 |
| 4 (C) | 39.5 |
| 5 (CH) | 40.7 |
| 6 (CH2) | 22.2 |
| 7 (CH2) | 30.4 |
| 8 (CH) | 38.3 |
| 9 (C) | 51.6 |
| 10 (C) | 40.5 |
| 11 (CH2) | 27.5 |
| 12 (CH) | 48.1 |
| 13 (C) | 73.9 |
| 14 (CH2) | 39.5 |
| 15 (CH3) | 29.5 |
| 16 (CH2) | 29.6 |
| 17 (CH2) | 26.7 |
| 18 (CH3) | 18.8 |
| 19 (CH2) | 70.9 |
| 20 (CH3) | 18 |
