Spektraris NMR
isoambreinolide
Common Name: isoambreinolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O2/c1-12-6-7-13-15(2,3)9-5-10-16(13,4)17(12)11-8-14(18)19-17/h12-13H,5-11H2,1-4H3/t12-,13-,16+,17-/m1/s1
InChIKey: InChIKey=AQNLWBUTGIPKLD-UTJXIGIESA-N
Formula: C17H28O2
Molecular Weight: 264.403661
Exact Mass: 264.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Yanaka, T., Yamamoto, M., Ito, Y., Nohara, T. J Nat Prod (2002) 65, 537-41
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 31.1 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 41.2 |
| 4 (C) | 33.2 |
| 5 (CH) | 46.5 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 30.9 |
| 8 (CH) | 36.7 |
| 9 (C) | 93.9 |
| 10 (C) | 42.1 |
| 11 (CH2) | 24.6 |
| 12 (CH2) | 29.4 |
| 13 (C) | 177.8 |
| 17 (CH3) | 15.6 |
| 18 (CH3) | 33 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 15.5 |
