Spektraris NMR
Botryenalol
Common Name: Botryenalol
Synonyms: Botryenalol
CAS Registry Number:
InChI: InChI=1S/C17H26O4/c1-10-6-13(21-11(2)20)15-14(12(10)7-18)17(5,9-19)8-16(15,3)4/h7,10,13,15,19H,6,8-9H2,1-5H3/t10-,13+,15-,17-/m1/s1
InChIKey: InChIKey=DSVSTMJOGQEZJX-BYLNDYCFSA-N
Formula: C17H26O4
Molecular Weight: 294.38659
Exact Mass: 294.183109
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Krohn, K., Dai, J., Florke, U., Aust, H.J., Drager, S., Schulz, B. J Nat Prod (2005) 68, 400-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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) | 131.1 |
| 2 (CH) | 29.1 |
| 3 (CH2) | 36.6 |
| 4 (CH) | 71.7 |
| 5 (CH) | 58.3 |
| 6 (C) | 39.1 |
| 7 (CH2) | 54.1 |
| 8 (C) | 51.8 |
| 9 (C) | 162.8 |
| 10 (CH) | 192.4 |
| 11 (CH3) | 20.8 |
| 12 (CH3) | 29.6 |
| 13 (CH3) | 28.9 |
| 14 (CH3) | 23.6 |
| 15 (CH2) | 70.3 |
| 4a (C) | 179.5 |
| 4b (CH3) | 21.3 |
