Spektraris NMR
(8alpha,13E)-9-Methyl-17-norlabda-5(10),13-dien-15-oic acid
Common Name: (8alpha,13E)-9-Methyl-17-norlabda-5(10),13-dien-15-oic acid
Synonyms: (8alpha,13E)-9-Methyl-17-norlabda-5(10),13-dien-15-oic acid
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(13-18(21)22)10-12-20(5)15(2)8-9-16-17(20)7-6-11-19(16,3)4/h13,15H,6-12H2,1-5H3,(H,21,22)/b14-13+/t15-,20+/m1/s1
InChIKey: InChIKey=NHBBNJUTJDMMEN-ZEXJRDOXSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hara, N., Asaki, H., Fujimoto, Y., Gupta, Y.K., Singh, A.K., Sahai, M. Phytochemistry (1995) 38, 189-94
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 (CH2) | 25.2 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 39.9 |
| 4 (C) | 34.5 |
| 5 (C) | 137.6 |
| 6 (CH2) | 25.8 |
| 7 (CH2) | 27.1 |
| 8 (CH) | 33.6 |
| 9 (C) | 40.6 |
| 10 (C) | 131.9 |
| 11 (CH2) | 34.2 |
| 12 (CH2) | 36.2 |
| 13 (C) | 164.8 |
| 14 (CH) | 114.7 |
| 15 (C) | 172.4 |
| 16 (CH3) | 19.9 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 27.6 |
| 19 (CH3) | 29.2 |
| 20 (CH3) | 21.1 |
