Spektraris NMR
Botrydiol
Common Name: Botrydiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H30O5/c1-10-6-13(22-11(2)20)14-15(3,4)8-16(5,9-19)17(14,21)12(10)7-18/h10,12-14,18-19,21H,6-9H2,1-5H3/t10-,12+,13+,14+,16-,17-/m1/s1
InChIKey: InChIKey=ZTCADFMXQOOSBU-GKKOWQTJSA-N
Formula: C17H30O5
Molecular Weight: 314.417758
Exact Mass: 314.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Reino, J.L., Duran-Patron, R., Segura, I., Hernandez-Galan, R., Riese, H.H., Collado, I.G. J Nat Prod (2003) 66, 344-9
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 (CH) | 55.9 |
| 2 (CH) | 28.5 |
| 3 (CH2) | 40.6 |
| 4 (CH) | 73.4 |
| 5 (CH) | 64.7 |
| 6 (C) | 36.6 |
| 7 (CH2) | 53.8 |
| 8 (C) | 50.4 |
| 9 (C) | 90.1 |
| 10 (CH2) | 60.5 |
| 11 (CH3) | 20.5 |
| 12 (CH3) | 35.9 |
| 13 (CH3) | 28 |
| 14 (CH3) | 22.6 |
| 15 (CH2) | 68 |
| 4a (C) | 170.6 |
| 4b (CH3) | 21.5 |
