Spektraris NMR
Acetuxyisoplagiochilide
Common Name: Acetuxyisoplagiochilide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O3/c1-10-5-6-14-16(17(14,3)4)15-12(8-20-11(2)18)7-19-9-13(10)15/h7,14-16H,5-6,8-9H2,1-4H3/t14-,15-,16-/m0/s1
InChIKey: InChIKey=BAOTZKNIWLOPSB-JYJNAYRXSA-N
Formula: C17H24O3
Molecular Weight: 276.371303
Exact Mass: 276.172545
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Nagashima, F., Tanaka, H., Toyota, M., Hashimoto, T., Kan, Y.K., Takaoka, S., Tori, M., Asakawa, Y. Phytochemistry (1994) 36, 1425-30
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Aromadendranes; 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 (C) | 160.01 |
| 2 (CH2) | 159.95 |
| 3 (CH) | 138.4 |
| 4 (C) | 114.8 |
| 5 (CH) | 33.7 |
| 6 (CH) | 30.8 |
| 7 (CH) | 20.8 |
| 8 (CH2) | 16.7 |
| 9 (CH2) | 36.7 |
| 10 (C) | 122 |
| 11 (C) | 19.5 |
| 12 (CH3) | 28.7 |
| 13 (CH3) | 15.1 |
| 14 (CH3) | 24.1 |
| 15 (CH2) | 62.4 |
| 15a (C) | 169.8 |
| 15b (CH3) | 20.5 |
