Spektraris NMR
Hebelophyllene A
Common Name: Hebelophyllene A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-8-5-6-11(16)9(2)10-7-15(3,4)12(10)14(18)13(8)17/h5,10,12-14,17-18H,2,6-7H2,1,3-4H3/b8-5+/t10-,12-,13-,14+/m1/s1
InChIKey: InChIKey=YEIMVIJKXVOUFS-WHVZNBDHSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wichlacz, M., Ayer, W.A., Trifonov, L.S., Chakravarty, P., Khasa, D. Phytochemistry (1999) 51, 873-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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 (CH) | 46.6 |
| 2 (CH) | 71 |
| 3 (CH) | 77.5 |
| 4 (C) | 139.2 |
| 5 (CH) | 118.1 |
| 6 (CH2) | 39.5 |
| 7 (C) | 205 |
| 8 (C) | 154.9 |
| 9 (CH) | 33.8 |
| 10 (CH2) | 41.8 |
| 11 (C) | 34.6 |
| 12 (CH3) | 24 |
| 13 (CH3) | 33.6 |
| 14 (CH3) | 17.7 |
| 15 (CH2) | 122.9 |
