Spektraris NMR
3a-Hydroxy-epi-ilicic acid
Common Name: 3a-Hydroxy-epi-ilicic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O4/c1-9(13(17)18)10-4-6-14(2)7-5-12(16)15(3,19)11(14)8-10/h10-12,16,19H,1,4-8H2,2-3H3,(H,17,18)/t10-,11-,12-,14+,15-/m1/s1
InChIKey: InChIKey=SVUDFAVZLCGQAU-MYYUVRNCSA-N
Formula: C15H24O4
Molecular Weight: 268.349236
Exact Mass: 268.167459
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Abu Zarga, M.H., Hamed, E.M., Sabri, S.S., Voelter, W., Zeller, K.P. Phytochemistry (1998) 61, 798-800
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 (CH2) | 34.9 |
| 2 (CH2) | 25.2 |
| 3 (CH) | 74 |
| 4 (C) | 72.5 |
| 5 (CH) | 45.5 |
| 6 (CH2) | 26.3 |
| 7 (CH) | 40 |
| 8 (CH2) | 27.6 |
| 9 (CH2) | 43.9 |
| 10 (C) | 33.3 |
| 11 (C) | 155.1 |
| 12 (C) | 172 |
| 13 (CH2) | 112.6 |
| 14 (CH3) | 18.8 |
| 15 (CH3) | 26.7 |
