Spektraris NMR
Cistadiol
Common Name: Cistadiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H36O2/c1-15(10-13-21)8-11-19(3)16(2)9-12-20(4)17(14-22)6-5-7-18(19)20/h6,15-16,18,21-22H,5,7-14H2,1-4H3/t15?,16-,18-,19+,20-/m1/s1
InChIKey: InChIKey=RYZMXJAWCKWVRC-SSLTWDDKSA-N
Formula: C20H36O2
Molecular Weight: 308.499395
Exact Mass: 308.27153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalpoutzakis, E., Aligiannis, N., Skaltsounis, A.L., Mitakou, S. J Nat Prod (2003) 66, 316-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 17.3 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 124.6 |
| 4 (C) | 143.2 |
| 5 (C) | 36.1 |
| 6 (CH2) | 36.7 |
| 7 (CH2) | 28.9 |
| 8 (CH) | 37.2 |
| 9 (C) | 39.9 |
| 10 (CH) | 45 |
| 11 (CH2) | 35 |
| 12 (CH2) | 29.6 |
| 13 (CH) | 30.1 |
| 14 (CH2) | 39.7 |
| 15 (CH2) | 61 |
| 16 (CH3) | 19.8 |
| 17 (CH3) | 17.4 |
| 18 (CH2) | 64.5 |
| 19 (CH3) | 34.9 |
| 20 (CH3) | 15.8 |
