Spektraris NMR
Coelodiol
Common Name: Coelodiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H34O4/c1-12-7-8-15-20(4,16(12)18(24)25-6)10-9-14-19(2,3)11-13(22)17(23)21(14,15)5/h13-17,22-23H,1,7-11H2,2-6H3/t13-,14-,15-,16-,17-,20+,21-/m0/s1
InChIKey: InChIKey=YBBAGDMLYAQRDJ-NAHVNDSFSA-N
Formula: C21H34O4
Molecular Weight: 350.493059
Exact Mass: 350.24571
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Fattorusso, E., Romano, A., Scafati, O.T., Bavestrello, G., Bonelli, P., Calcinai, B. Tetrahedron Lett (2006) 47, 2197-200
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isocopalanes; 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) | 76.3 |
| 2 (CH) | 74.4 |
| 3 (CH2) | 33 |
| 4 (C) | 42.5 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 39.6 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.7 |
| 10 (C) | 42 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 36 |
| 13 (C) | 145 |
| 14 (CH) | 64.3 |
| 15 (C) | 171.8 |
| 16 (CH2) | 109.5 |
| 17 (CH3) | 16.3 |
| 18 (CH3) | 26 |
| 19 (CH3) | 32.1 |
| 20 (CH3) | 17.8 |
| 15a (CH3) | 51.5 |
