Spektraris NMR
Isocupressic acid
Common Name: Isocupressic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6,16-17,21H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m0/s1
InChIKey: InChIKey=UPEXJUYHODZFMO-QGZVKYPTSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Asili, J., Lambert, M., Ziegler, H.L., Staerk, D., SairaBanpour, M., Witt, M., Asghari, G., Ibrahimi, I.S., Jaroszewski, J.W. J Nat Prod (2004) 67, 631-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 34.73 |
| 2 (CH2) | 27.77 |
| 3 (CH) | 78.97 |
| 4 (C) | 38.86 |
| 5 (CH) | 51.05 |
| 6 (CH2) | 18.63 |
| 7 (CH2) | 32.66 |
| 8 (C) | 124.63 |
| 9 (C) | 136.41 |
| 10 (C) | 37.35 |
| 11 (CH2) | 21.18 |
| 12 (CH2) | 34.94 |
| 13 (C) | 35.12 |
| 14 (CH2) | 41.84 |
| 15 (CH) | 146.2 |
| 16 (CH2) | 110.74 |
| 17 (CH3) | 27.96 |
| 18 (CH3) | 28.03 |
| 19 (CH3) | 15.52 |
| 20 (CH3) | 19.42 |
