Spektraris NMR
15-Acetoxy-7,13E-labdadien-17-al
Common Name: 15-Acetoxy-7,13E-labdadien-17-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O3/c1-16(11-14-25-17(2)24)7-9-19-18(15-23)8-10-20-21(3,4)12-6-13-22(19,20)5/h8,11,15,19-20H,6-7,9-10,12-14H2,1-5H3/b16-11+/t19-,20-,22+/m0/s1
InChIKey: InChIKey=ASDFKNZMBSZFQH-MCCFNFQJSA-N
Formula: C22H34O3
Molecular Weight: 346.50439
Exact Mass: 346.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Diez, D., Garrido, N.M., Alonso, C., Oliva, I.M., Lithgow, A.M., Moro, R.F., Sexmero, M.J., Lopez, C. Phytochemistry (1994) 35, 713-9
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) | 39 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42.1 |
| 4 (C) | 32.9 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 25.3 |
| 7 (CH) | 152.1 |
| 8 (C) | 144.6 |
| 9 (CH) | 50.3 |
| 10 (C) | 36.8 |
| 11 (CH2) | 25.4 |
| 12 (CH2) | 41.4 |
| 13 (C) | 143.2 |
| 14 (CH) | 118.1 |
| 15 (CH2) | 61.5 |
| 16 (CH3) | 16.4 |
| 17 (CH) | 194.8 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 14.2 |
| 15a (C) | 171.1 |
| 15b (CH3) | 21 |
