Spektraris NMR
Dihydrobotrydial
Common Name: Dihydrobotrydial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H28O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12-,13+,14+,16-,17-/m1/s1
InChIKey: InChIKey=QUGYVDURDBEQRB-CJNHKLDISA-N
Formula: C17H28O5
Molecular Weight: 312.401876
Exact Mass: 312.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86
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) | 54.9 |
| 2 (CH) | 28.6 |
| 3 (CH2) | 39.9 |
| 4 (CH) | 72.6 |
| 5 (CH) | 60 |
| 6 (C) | 38.8 |
| 7 (CH2) | 50.4 |
| 8 (C) | 45.4 |
| 9 (C) | 83.4 |
| 10 (CH) | 92.5 |
| 11 (CH3) | 20.1 |
| 12 (CH3) | 35.9 |
| 13 (CH3) | 27.2 |
| 14 (CH3) | 25.3 |
| 15 (CH2) | 67.5 |
| 4a (C) | 170.5 |
| 4b (CH3) | 21.4 |
