Spektraris NMR
(1β)-1-Hydroxysclareol
Common Name: (1β)-1-Hydroxysclareol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-7-18(4,22)12-8-15-19(5,23)13-9-14-17(2,3)11-10-16(21)20(14,15)6/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15-,16+,18-,19+,20-/m0/s1
InChIKey: InChIKey=XJKSDZIJQLCSRL-XLQBFBSWSA-N
Formula: C20H36O3
Molecular Weight: 324.4988
Exact Mass: 324.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Choudhary, M.I., Siddiqui, Z.A., Hussain, S. Chem Biodivers (2006) 3, 54-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 65.2 |
| 2 (CH2) | 28.2 |
| 3 (CH2) | 35.4 |
| 4 (C) | 33.3 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 44.2 |
| 8 (C) | 74.5 |
| 9 (CH) | 55.4 |
| 10 (C) | 44.3 |
| 11 (CH2) | 19.5 |
| 12 (CH2) | 44.7 |
| 13 (C) | 73.6 |
| 14 (CH) | 145.7 |
| 15 (CH2) | 111.4 |
| 16 (CH3) | 27.6 |
| 17 (CH3) | 16.4 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 24.4 |
