Spektraris NMR
(5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxy-15-methoxylabda-13-ene-16-oic acid 16,15-lactone
Common Name: (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxy-15-methoxylabda-13-ene-16-oic acid 16,15-lactone
Synonyms: (5S,6R,8R,9R,10S)-6-Acetoxy-9,15-dihydroxy-15-methoxylabda-13-ene-16-oic acid 16,15-lactone
CAS Registry Number:
InChI: InChI=1S/C23H36O6/c1-14-12-17(28-15(2)24)19-21(3,4)9-7-10-22(19,5)23(14,26)11-8-16-13-18(27-6)29-20(16)25/h13-14,17-19,26H,7-12H2,1-6H3/t14-,17-,18?,19+,22+,23-/m1/s1
InChIKey: InChIKey=JCLASDLCCPVVAB-AJIAUDRRSA-N
Formula: C23H36O6
Molecular Weight: 408.529222
Exact Mass: 408.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ono, M., Yamamoto, M., Yanaka, T., Ito, Y., Nohara, T. Chem Pharm Bull (2001) 49, 82-6
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) | 32 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 43.6 |
| 4 (C) | 33.9 |
| 5 (CH) | 47.5 |
| 6 (CH) | 70.1 |
| 7 (CH2) | 36.1 |
| 8 (CH) | 31.9 |
| 9 (C) | 76.5 |
| 10 (C) | 43.8 |
| 11 (CH2) | 31.9 |
| 12 (CH2) | 22 |
| 13 (C) | 139.2 |
| 14 (CH) | 141.5 |
| 15 (CH) | 102.6 |
| 16 (C) | 171.6 |
| 17 (CH3) | 16.1 |
| 18 (CH3) | 33.6 |
| 19 (CH3) | 23.7 |
| 20 (CH3) | 19 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21.9 |
| 15a (CH3) | 57.1 |
