Spektraris NMR
(13E)-8-Hydroxy-18-acetoxylabda-13-ene-15-oic acid
Common Name: (13E)-8-Hydroxy-18-acetoxylabda-13-ene-15-oic acid
Synonyms: (13E)-8-Hydroxy-18-acetoxylabda-13-ene-15-oic acid
CAS Registry Number:
InChI: InChI=1S/C22H36O5/c1-15(13-19(24)25)7-8-18-21(4)11-6-10-20(3,14-27-16(2)23)17(21)9-12-22(18,5)26/h13,17-18,26H,6-12,14H2,1-5H3,(H,24,25)/b15-13+/t17-,18+,20-,21-,22+/m0/s1
InChIKey: InChIKey=ISGZIAHLYCQZFM-DJKOWVEXSA-N
Formula: C22H36O5
Molecular Weight: 380.519082
Exact Mass: 380.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hegazy, M.E.F., Ohta, S., Abdel-latif, F.F., Albadry, H.A., Ohta, E., Pare, P.W., Hirata, T. J Nat Prod (2008) 71, 1070-3
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) | 39.1 |
| 2 (CH2) | 17.6 |
| 3 (CH2) | 35.6 |
| 4 (C) | 36.4 |
| 5 (CH) | 49.9 |
| 6 (CH2) | 20.4 |
| 7 (CH2) | 44.3 |
| 8 (C) | 73.9 |
| 9 (CH) | 61.2 |
| 10 (C) | 39 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 44.4 |
| 13 (C) | 163.3 |
| 14 (CH) | 113.9 |
| 15 (C) | 169.3 |
| 16 (CH3) | 19.3 |
| 17 (CH3) | 24.1 |
| 18 (CH2) | 72.5 |
| 19 (CH3) | 17.3 |
| 20 (CH3) | 15.7 |
| 18a (C) | 169.3 |
| 18b (CH3) | 21 |
