Spektraris NMR
Hydrohalimic acid
Common Name: Hydrohalimic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O3/c1-14(10-13-21)9-12-19(3)15(2)7-8-17-16(19)6-5-11-20(17,4)18(22)23/h6,14-15,17,21H,5,7-13H2,1-4H3,(H,22,23)/t14-,15-,17+,19+,20+/m1/s1
InChIKey: InChIKey=CIAUAOBUBMGUPE-VCNAKFCDSA-N
Formula: C20H34O3
Molecular Weight: 322.482918
Exact Mass: 322.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - deMendonca, D., Rodilla, J.M.L., Lithgow, A.M., Marcos, I.S. Phytochemistry (1997) 44, 1301-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Halimanes; 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) | 119.3 |
| 2 (CH2) | 22.7 |
| 3 (CH2) | 30.1 |
| 4 (C) | 44.6 |
| 5 (CH) | 38 |
| 6 (CH2) | 23 |
| 7 (CH2) | 28.4 |
| 8 (CH) | 38.5 |
| 9 (C) | 42.7 |
| 10 (C) | 147.5 |
| 11 (CH2) | 35.8 |
| 12 (CH2) | 30.5 |
| 13 (CH) | 29.8 |
| 14 (CH2) | 39.1 |
| 15 (CH2) | 60.9 |
| 16 (CH3) | 19.7 |
| 17 (CH3) | 15.5 |
| 18 (CH3) | 20.3 |
| 19 (C) | 184.1 |
| 20 (CH3) | 22.3 |
