Spektraris NMR
Coulterone
Common Name: Coulterone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O5/c1-11(2)15-18(24)16-12(17(23)19(15)26-5)10-21(25)8-6-7-20(3,4)14(21)9-13(16)22/h11,14,23-25H,6-10H2,1-5H3/t14?,21-/m0/s1
InChIKey: InChIKey=GNVMHDPNRQZLBQ-YNNZGITBSA-N
Formula: C21H30O5
Molecular Weight: 362.460701
Exact Mass: 362.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Frontana, B., Cardenas, J., Rodriguezhahn, L. Phytochemistry (1994) 36, 739-41
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) | 38.4 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 40.6 |
| 4 (C) | 33.8 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 40.5 |
| 7 (C) | 210.6 |
| 8 (C) | 116.7 |
| 9 (C) | 121.1 |
| 10 (C) | 73.7 |
| 11 (C) | 139.5 |
| 12 (C) | 150.1 |
| 13 (C) | 127.4 |
| 14 (C) | 157.1 |
| 15 (CH) | 26 |
| 16 (CH3) | 20.5 |
| 17 (CH3) | 20.3 |
| 18 (CH3) | 32 |
| 19 (CH3) | 21.4 |
| 20 (CH2) | 40.4 |
| 12a (CH3) | 61.9 |
