Spektraris NMR
12(S)-Hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide
Common Name: 12(S)-Hydroxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20,19-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O4/c1-13-4-5-17-19(2)7-3-8-20(17,18(22)24-12-19)15(13)10-16(21)14-6-9-23-11-14/h6,9,11,15-17,21H,1,3-5,7-8,10,12H2,2H3/t15-,16+,17-,19+,20-/m1/s1
InChIKey: InChIKey=KYZAWEZJJFQWBQ-FPPGBKCQSA-N
Formula: C20H26O4
Molecular Weight: 330.418797
Exact Mass: 330.183109
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - DellaGreca, M., Fiorentino, A., Isidori, M., Monaco, P., Temussi, F., Zarrelli, A. Phytochemistry (2001) 58, 299-304
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) | 36 |
| 2 (CH2) | 20.9 |
| 3 (CH2) | 41.1 |
| 4 (C) | 33.5 |
| 5 (CH) | 49.5 |
| 6 (CH2) | 28 |
| 7 (CH2) | 36.9 |
| 8 (C) | 145.9 |
| 9 (CH) | 48.1 |
| 10 (C) | 50.8 |
| 11 (CH2) | 34.3 |
| 12 (CH) | 65.1 |
| 13 (C) | 130 |
| 14 (CH) | 108.4 |
| 15 (CH) | 143.3 |
| 16 (CH) | 138.6 |
| 17 (CH2) | 108.7 |
| 18 (CH3) | 23.7 |
| 19 (CH2) | 76.5 |
| 20 (C) | 173.2 |
