Spektraris NMR
Acetylstachenol
Common Name: Acetylstachenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O2/c1-15(23)24-18-8-10-21(5)16(19(18,2)3)7-11-22-13-12-20(4,14-22)9-6-17(21)22/h12-13,16-18H,6-11,14H2,1-5H3/t16-,17+,18+,20-,21-,22+/m1/s1
InChIKey: InChIKey=NEBIDOASZSTRTM-JHNTZSPXSA-N
Formula: C22H34O2
Molecular Weight: 330.504985
Exact Mass: 330.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Munkombwe, N.M., Maswabi, T., Hughes, N.A. Phytochemistry (1997) 45, 1217-20
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 37 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 81.1 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 37.1 |
| 8 (C) | 48.8 |
| 9 (CH) | 55.6 |
| 10 (C) | 37 |
| 11 (CH2) | 19.8 |
| 12 (CH2) | 33.1 |
| 13 (C) | 43.1 |
| 14 (CH2) | 61 |
| 15 (CH) | 136.6 |
| 16 (CH) | 135 |
| 17 (CH3) | 25 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 15.1 |
| 3a (C) | 20.4 |
| 3b (CH3) | 171.1 |
