Spektraris NMR
Secobotrytriendiol
Common Name: Secobotrytriendiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-6-11(8-16)13-12(7-2)14(3,4)9-15(13,5)10-17/h6-7,16-17H,2,8-10H2,1,3-5H3/b11-6-/t15-/m1/s1
InChIKey: InChIKey=BHNACKMCMDASDB-UJNBGNEJSA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
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) | 136.1 |
| 2 (CH) | 126.6 |
| 3 (CH2) | 115.3 |
| 4 (CH) | 131.1 |
| 5 (C) | 148.6 |
| 6 (C) | 45.2 |
| 7 (CH2) | 52.3 |
| 8 (C) | 52.5 |
| 9 (C) | 140 |
| 10 (CH2) | 68.3 |
| 11 (CH3) | 14.7 |
| 12 (CH3) | 30.7 |
| 13 (CH3) | 29.2 |
| 14 (CH3) | 24 |
| 15 (CH2) | 70.3 |
