Spektraris NMR
Stemarin
Common Name: Stemarin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-17(13-21)8-4-9-18(2)16(17)6-5-15-11-19(3,22)14-7-10-20(15,18)12-14/h14-16,21-22H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=FTJVSKZQYPUTJW-WLWSEXLFSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
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 : 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) | 31.8 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 35.3 |
| 4 (C) | 38 |
| 5 (CH) | 40.9 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 30.8 |
| 8 (CH) | 38.9 |
| 9 (C) | 51.6 |
| 10 (C) | 38.6 |
| 11 (CH2) | 29.4 |
| 12 (CH) | 47.9 |
| 13 (C) | 73.9 |
| 14 (CH2) | 39.9 |
| 15 (CH3) | 29.5 |
| 16 (CH2) | 26.7 |
| 17 (CH2) | 27.4 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 70.8 |
| 20 (CH3) | 16.9 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.