Spektraris NMR
(5S,6S,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone
Common Name: (5S,6S,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone
Synonyms: (5S,6S,8R,9R,10S)-6-Acetoxy-9,15-dihydroxylabda-13-ene-16-oic acid 16,15-lactone
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-14-13-17(27-15(2)23)18-20(3,4)9-6-10-21(18,5)22(14,25)11-7-16-8-12-26-19(16)24/h8,14,17-18,25H,6-7,9-13H2,1-5H3/t14-,17+,18+,21+,22-/m1/s1
InChIKey: InChIKey=FFOPQHZFBMZAKK-NDOLZWLNSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
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) | 32.8 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 43 |
| 4 (C) | 33.1 |
| 5 (CH) | 48.3 |
| 6 (CH) | 72.2 |
| 7 (CH2) | 37.2 |
| 8 (CH) | 35.5 |
| 9 (C) | 76.1 |
| 10 (C) | 45 |
| 11 (CH2) | 32.2 |
| 12 (CH2) | 22.1 |
| 13 (C) | 134.9 |
| 14 (CH) | 144 |
| 15 (CH2) | 70.2 |
| 16 (C) | 174.5 |
| 17 (CH3) | 15.8 |
| 18 (CH3) | 36.5 |
| 19 (CH3) | 22.8 |
| 20 (CH3) | 17.6 |
| 6a (C) | 170.5 |
| 6b (CH3) | 22 |
