Spektraris NMR
12R,13R,14S-Trihydroxylabda-12,15-epoxy-8(17)-en-19-oic acid
Common Name: 12R,13R,14S-Trihydroxylabda-12,15-epoxy-8(17)-en-19-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O5/c1-12-6-7-14-18(2,8-5-9-19(14,3)17(22)23)13(12)10-16-20(4,24)15(21)11-25-16/h13-16,21,24H,1,5-11H2,2-4H3,(H,22,23)/t13-,14+,15-,16+,18+,19-,20+/m0/s1
InChIKey: InChIKey=FNYRUDPDRBZKNC-JTBPYRKJSA-N
Formula: C20H32O5
Molecular Weight: 352.465847
Exact Mass: 352.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, Y.Z., Tang, C.P., Ke, C.Q., Weiss, H.C., Gesing, E.R., Ye, Y. Phytochemistry (2008) 69, 518-26
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) | 19.8 |
| 3 (CH2) | 37.9 |
| 4 (C) | 44.1 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 26 |
| 7 (CH2) | 38.6 |
| 8 (C) | 147.9 |
| 9 (CH) | 52.1 |
| 10 (C) | 40.1 |
| 11 (CH2) | 23.5 |
| 12 (CH) | 81 |
| 13 (C) | 77.6 |
| 14 (CH) | 76.6 |
| 15 (CH2) | 72.7 |
| 16 (CH3) | 19.4 |
| 17 (CH2) | 107 |
| 18 (CH3) | 29 |
| 19 (C) | 182.6 |
| 20 (CH3) | 12.7 |
