Spektraris NMR
Candicandiol
Common Name: Candicandiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-13-10-20-11-14(13)5-6-15(20)19(3)8-4-7-18(2,12-21)16(19)9-17(20)22/h14-17,21-22H,1,4-12H2,2-3H3/t14-,15+,16-,17-,18-,19+,20+/m1/s1
InChIKey: InChIKey=AMOBKAMJSKCUFH-IRIQXGSBSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga B.M., Alvarez L., Suarez S. J Nat Prod (2003) 66, 327-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 39.6 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 34.9 |
| 4 (C) | 37.3 |
| 5 (C) | 45.8 |
| 6 (CH2) | 29 |
| 7 (CH) | 74.7 |
| 8 (C) | 49.7 |
| 9 (C) | 55.2 |
| 10 (C) | 39.1 |
| 11 (CH2) | 17.9 |
| 12 (CH2) | 33.5 |
| 13 (CH) | 43.2 |
| 14 (CH2) | 30.5 |
| 15 (CH2) | 43.1 |
| 16 (C) | 154.9 |
| 17 (CH2) | 103.4 |
| 18 (CH2) | 71.6 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 18.1 |
