Spektraris NMR
(+)-3β-Hydroxymanool
Common Name: (+)-3β-Hydroxymanool
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O2/c1-7-19(5,22)12-10-15-14(2)8-9-16-18(3,4)17(21)11-13-20(15,16)6/h7,15-17,21-22H,1-2,8-13H2,3-6H3/t15-,16-,17-,19+,20+/m0/s1
InChIKey: InChIKey=BPVLHHCARIEPNP-HROONELDSA-N
Formula: C20H34O2
Molecular Weight: 306.483513
Exact Mass: 306.25588
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, T.S., Vargas, D., Franzblau, S.G., Fischer, N.H. Phytochemistry (1995) 38, 451-6
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) | 37.1 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78.9 |
| 4 (C) | 39.1 |
| 5 (CH) | 54.6 |
| 6 (CH2) | 24 |
| 7 (CH2) | 38.1 |
| 8 (C) | 148.1 |
| 9 (CH) | 56.9 |
| 10 (C) | 39.5 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 41.2 |
| 13 (C) | 73.6 |
| 14 (CH) | 145 |
| 15 (CH2) | 111.7 |
| 16 (CH3) | 28.1 |
| 17 (CH2) | 106.7 |
| 18 (CH3) | 28.3 |
| 19 (CH3) | 15.3 |
| 20 (CH3) | 14.4 |
