Spektraris NMR
7b-Hydroxyisocupressic acid
Common Name: 7b-Hydroxyisocupressic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13(8-11-21)6-7-15-14(2)16(22)12-17-19(15,3)9-5-10-20(17,4)18(23)24/h8,15-17,21-22H,2,5-7,9-12H2,1,3-4H3,(H,23,24)/b13-8+/t15-,16-,17+,19+,20-/m0/s1
InChIKey: InChIKey=UXMBBNGSLYIDOP-HLJVEWBTSA-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) | 40.3 |
| 2 (CH2) | 21.2 |
| 3 (CH2) | 39.3 |
| 4 (C) | 45 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 36.6 |
| 7 (CH) | 75 |
| 8 (C) | 151.6 |
| 9 (CH) | 54.7 |
| 10 (C) | 40.9 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 39.2 |
| 13 (C) | 139.9 |
| 14 (CH) | 125 |
| 15 (CH2) | 59.4 |
| 16 (CH3) | 16.2 |
| 17 (CH2) | 103.7 |
| 18 (CH3) | 29.5 |
| 19 (C) | 181.1 |
| 20 (CH3) | 13.4 |
