Spektraris NMR
12-hydroxydehydrobotrydienol
Common Name: 12-hydroxydehydrobotrydienol
Synonyms: 12-hydroxydehydrobotrydienol
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-10-4-5-12-13(11(10)6-16)15(3,9-18)7-14(12,2)8-17/h4-5,16-18H,6-9H2,1-3H3/t14-,15+/m0/s1
InChIKey: InChIKey=YPJRKTIWVUVMDI-LSDHHAIUSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
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 (C) | 134.9 |
| 2 (C) | 137.3 |
| 3 (CH) | 130.7 |
| 4 (CH) | 122.9 |
| 5 (C) | 147.3 |
| 6 (C) | 46.5 |
| 7 (CH2) | 49.3 |
| 8 (C) | 50.4 |
| 9 (C) | 145.7 |
| 10 (CH2) | 58.4 |
| 11 (CH3) | 19 |
| 12 (CH2) | 71.7 |
| 13 (CH3) | 26.8 |
| 14 (CH3) | 28 |
| 15 (CH2) | 71.7 |
