Spektraris NMR
(12S)-12-Hydroxysclareol
Common Name: (12S)-12-Hydroxysclareol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O3/c1-7-19(5,22)16(21)13-15-18(4)11-8-10-17(2,3)14(18)9-12-20(15,6)23/h7,14-16,21-23H,1,8-13H2,2-6H3/t14-,15+,16-,18-,19-,20+/m0/s1
InChIKey: InChIKey=WYIAFXFKAQLPDZ-CJEFFJQMSA-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 (CH2) | 39.8 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 44.4 |
| 8 (C) | 74.8 |
| 9 (CH) | 51.6 |
| 10 (C) | 39.3 |
| 11 (CH2) | 24.4 |
| 12 (CH) | 76.5 |
| 13 (C) | 80.5 |
| 14 (CH) | 142.8 |
| 15 (CH2) | 113.2 |
| 16 (CH3) | 16 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 21.6 |
| 20 (CH3) | 24.3 |
