Spektraris NMR
Manool
Common Name: Manool
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O/c1-7-19(5,21)14-11-16-15(2)9-10-17-18(3,4)12-8-13-20(16,17)6/h7,15-17,21H,1,8-14H2,2-6H3/t15-,16-,17-,19+,20+/m0/s1
InChIKey: InChIKey=FLVAXXPTIPADIG-HROONELDSA-N
Formula: C20H36O1
Molecular Weight: 292.49999
Exact Mass: 292.276616
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Topcu, G., Eris, C., Sonmez, U., Kartal, M., Kurucu, S., Bozokjohansson, C. Phytochemistry (1994) 36, 971-4
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) | 39.4 |
| 2 (CH2) | 18 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.2 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 148.2 |
| 9 (CH) | 33.2 |
| 10 (C) | 38.8 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 46 |
| 13 (C) | 74 |
| 14 (CH) | 141.2 |
| 15 (CH2) | 109.3 |
| 16 (CH3) | 23.3 |
| 17 (CH3) | 108.4 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 24.4 |
| 20 (CH3) | 15.7 |
