Spektraris NMR
Cyclocoulterone
Common Name: Cyclocoulterone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O5/c1-11(2)15-17(23)16-12(18-19(15)26-10-25-18)9-21(24)7-5-6-20(3,4)14(21)8-13(16)22/h11,14,23-24H,5-10H2,1-4H3/t14-,21-/m0/s1
InChIKey: InChIKey=DTBDZSSMCMSRSI-QKKBWIMNSA-N
Formula: C21H28O5
Molecular Weight: 360.44482
Exact Mass: 360.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Uchiyama N., Kiuchi F., Ito M., Honda G., Takeda Y., Khodzhimatov O.K., Ashurmetov O.A. J Nat Prod (2003) 66, 128-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Icetexanes; 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) | 38.5 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 40.6 |
| 4 (C) | 34 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 40 |
| 7 (C) | 208.6 |
| 8 (C) | 112.5 |
| 9 (C) | 114.7 |
| 10 (C) | 73.6 |
| 11 (C) | 139.2 |
| 12 (C) | 150.6 |
| 13 (C) | 117.1 |
| 14 (C) | 160.6 |
| 15 (CH) | 24.3 |
| 16 (CH3) | 20.6 |
| 17 (CH3) | 20.7 |
| 18 (CH3) | 32 |
| 19 (CH3) | 21.4 |
| 20 (CH2) | 41.3 |
| 11a (CH2) | 100.7 |
