Spektraris NMR
1alpha-hydroxy-9-deoxycacalol
Common Name: 1alpha-hydroxy-9-deoxycacalol
Synonyms: 1alpha-hydroxy-9-deoxycacalol
CAS Registry Number:
InChI: InChI=1S/C15H18O2/c1-8-4-5-12(16)11-6-13-15(9(2)7-17-13)10(3)14(8)11/h6-8,12,16H,4-5H2,1-3H3/t8-,12-/m0/s1
InChIKey: InChIKey=ZRWPAGVTPFFNTL-UFBFGSQYSA-N
Formula: C15H18O2
Molecular Weight: 230.302782
Exact Mass: 230.13068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Q., Mu, Q., Shibano, M., Morris-Natschke, S.L., Lee, K.H., Chen, D.F. J Nat Prod (2007) 70, 1259-62
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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) | 70.6 |
| 2 (CH2) | 28.7 |
| 3 (CH2) | 28.3 |
| 4 (CH) | 28.9 |
| 5 (C) | 134.4 |
| 6 (C) | 129.2 |
| 7 (C) | 126.9 |
| 8 (C) | 154.3 |
| 9 (CH) | 107.6 |
| 10 (C) | 136.3 |
| 11 (C) | 116.3 |
| 12 (CH) | 141.9 |
| 13 (CH3) | 11.4 |
| 14 (CH3) | 14.7 |
| 15 (CH3) | 21.7 |
