Spektraris NMR
9α,13α,15,16-Bisepoxy-15-hydroxy-3-oxo-labdan-6eta-19-olide
Common Name: 9α,13α,15,16-Bisepoxy-15-hydroxy-3-oxo-labdan-6eta-19-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O7/c1-10-6-11-15-17(2,5-4-12(21)18(15,3)16(24)26-11)20(10)7-13(22)19(27-20)8-14(23)25-9-19/h10-11,14-15,23H,4-9H2,1-3H3/t10-,11-,14-,15-,17+,18+,19-,20-/m1/s1
InChIKey: InChIKey=JSUVYJUNZMGBCL-VQRANJHZSA-N
Formula: C20H26O7
Molecular Weight: 378.417012
Exact Mass: 378.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Khalil, A.T., Gedara, S.R., Lahloub, M.F., Halim, A.F. Phytochemistry (1996) 41, 1569-71
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) | 37.6 |
| 2 (CH2) | 34.2 |
| 3 (C) | 5.9 |
| 4 (C) | 53.52 |
| 5 (CH) | 48.1 |
| 6 (CH) | 74.9 |
| 7 (CH2) | 31.1 |
| 8 (CH) | 31.5 |
| 9 (C) | 90.7 |
| 10 (C) | 39.2 |
| 11 (CH2) | 29.36 |
| 12 (C) | 29.2 |
| 13 (C) | 90.2 |
| 14 (CH2) | 46.1 |
| 15 (CH) | 99.1 |
| 16 (CH2) | 77.6 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 19 |
| 19 (C) | 174.5 |
| 20 (CH3) | 20.5 |
