Spektraris NMR
2a-Hydroxyisocupressic acid
Common Name: 2a-Hydroxyisocupressic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13(9-10-21)5-7-16-14(2)6-8-17-19(16,3)11-15(22)12-20(17,4)18(23)24/h9,15-17,21-22H,2,5-8,10-12H2,1,3-4H3,(H,23,24)/b13-9+/t15-,16+,17-,19-,20+/m1/s1
InChIKey: InChIKey=FWEBHQLHWQHDOT-TWMORSBMSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lin, S.J., Rosazza, J.P. J Nat Prod (1998) 61, 922-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 49.1 |
| 2 (CH) | 65.6 |
| 3 (CH2) | 47.7 |
| 4 (C) | 46.1 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 27.1 |
| 7 (CH2) | 39.7 |
| 8 (C) | 149.1 |
| 9 (CH) | 56.6 |
| 10 (C) | 42.4 |
| 11 (CH2) | 23.2 |
| 12 (CH2) | 39.5 |
| 13 (C) | 139.9 |
| 14 (CH) | 125 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16.3 |
| 17 (CH2) | 107.5 |
| 18 (CH3) | 29.5 |
| 19 (C) | 180.7 |
| 20 (CH3) | 14.3 |
