Spektraris NMR
1b,4a-Dihydroxy-11a,13-dihydroalantolactone
Common Name: 1b,4a-Dihydroxy-11a,13-dihydroalantolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O4/c1-8-9-6-11-14(2,7-10(9)19-13(8)17)12(16)4-5-15(11,3)18/h6,8-10,12,16,18H,4-5,7H2,1-3H3/t8-,9+,10+,12+,14+,15+/m0/s1
InChIKey: InChIKey=KMYZDJARJMLULC-NONPZXNPSA-N
Formula: C15H22O4
Molecular Weight: 266.333355
Exact Mass: 266.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Oksuz, S., Topcu, G., Krawiec, M., Watson, W.H. Phytochemistry (1997) 46, 1131-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 77.9 |
| 2 (CH2) | 30.1 |
| 3 (CH2) | 41.7 |
| 4 (C) | 72.3 |
| 5 (C) | 147.9 |
| 6 (CH) | 122.1 |
| 7 (CH) | 43.6 |
| 8 (CH) | 78.1 |
| 9 (CH2) | 40.3 |
| 10 (C) | 39.7 |
| 11 (CH) | 43.6 |
| 12 (C) | 177.6 |
| 13 (CH3) | 14.6 |
| 14 (CH3) | 22.4 |
| 15 (CH3) | 16.5 |
