Spektraris NMR
2b-Hydroxy-9-epi-ent-labda-8(17),13(E)-dien-15-al
Common Name: 2b-Hydroxy-9-epi-ent-labda-8(17),13(E)-dien-15-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-14(10-11-21)6-8-17-15(2)7-9-18-19(3,4)12-16(22)13-20(17,18)5/h10-11,16-18,22H,2,6-9,12-13H2,1,3-5H3/b14-10+/t16-,17+,18-,20+/m1/s1
InChIKey: InChIKey=IFKXEBZUDRLRFD-KBWDWSCPSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garbarino, J.A., Chamy, M.C., Piovano, M., Espinoza, L., Belmonte, E. Phytochemistry (2004) 65, 903-8
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) | 48.1 |
| 2 (CH) | 65.5 |
| 3 (CH2) | 51 |
| 4 (C) | 35 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 23.9 |
| 7 (CH2) | 38 |
| 8 (C) | 147.2 |
| 9 (CH) | 56 |
| 10 (C) | 41.1 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 39.4 |
| 13 (C) | 164.7 |
| 14 (CH) | 127.2 |
| 15 (CH) | 191.4 |
| 16 (CH3) | 17.7 |
| 17 (CH2) | 107.3 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 15.4 |
