Spektraris NMR
(12S)-15,16-Epoxylabdane-7,13(16),14-triene-12-ol acetate
Common Name: (12S)-15,16-Epoxylabdane-7,13(16),14-triene-12-ol acetate
Synonyms: (12S)-15,16-Epoxylabdane-7,13(16),14-triene-12-ol acetate
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-15-7-8-20-21(3,4)10-6-11-22(20,5)18(15)13-19(25-16(2)23)17-9-12-24-14-17/h7,9,12,14,18-20H,6,8,10-11,13H2,1-5H3/t18-,19-,20-,22+/m0/s1
InChIKey: InChIKey=JQPHEXBZJLFBIP-BPBCIEFSSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - De la Torre, M.C., Garcia, I., Sierra, M.A. J Nat Prod (2002) 65, 661-8
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) | 39.2 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 123 |
| 8 (C) | 134.3 |
| 9 (CH) | 49.9 |
| 10 (C) | 36.8 |
| 11 (CH2) | 32.3 |
| 12 (CH) | 69.9 |
| 13 (C) | 124.5 |
| 14 (CH) | 109.2 |
| 15 (CH) | 143.2 |
| 16 (CH) | 140.9 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 33 |
| 19 (CH3) | 21.8 |
| 20 (CH3) | 13.6 |
| 12a (C) | 170.3 |
| 12b (CH3) | 21.3 |
