Spektraris NMR
Juniperexcelsic acid
Common Name: Juniperexcelsic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-7-14(2)8-10-17-15(3)9-11-18-21(17,5)13-12-19(26-16(4)23)22(18,6)20(24)25/h7,17-19H,1-3,8-13H2,4-6H3,(H,24,25)/t17-,18+,19+,21+,22+/m0/s1
InChIKey: InChIKey=RMGHMAQSHNALPO-LDNJSWSKSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Erenler, R., Cakmak, O., Johansson, C.B., Celik, C., Chai, H.B., Pezzuto, J.M. Phytochemistry (1999) 50, 1195-9
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) | 32.7 |
| 2 (CH2) | 24.3 |
| 3 (CH) | 73.2 |
| 4 (C) | 47.1 |
| 5 (CH) | 50 |
| 6 (CH2) | 25.4 |
| 7 (CH2) | 38.5 |
| 8 (C) | 147.6 |
| 9 (CH) | 55.6 |
| 10 (C) | 40.1 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 30.3 |
| 13 (C) | 147 |
| 14 (CH) | 139 |
| 15 (CH2) | 115.5 |
| 16 (CH2) | 113.2 |
| 17 (CH2) | 106.8 |
| 18 (CH3) | 23.8 |
| 19 (C) | 182.1 |
| 20 (CH3) | 12.4 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.2 |
