Spektraris NMR
1α-Hydroxyimbricatolic acid
Common Name: 1α-Hydroxyimbricatolic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-13(10-12-21)5-7-15-14(2)6-8-16-19(3,18(23)24)11-9-17(22)20(15,16)4/h13,15-17,21-22H,2,5-12H2,1,3-4H3,(H,23,24)/t13-,15+,16+,17+,19+,20-/m1/s1
InChIKey: InChIKey=ZKVXZEFUMFZILK-BSBBJGLUSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Schmeda-Hirschmann, G., Aranda, C., Kurina, M., Rodriguez, J.A., Theoduloz, C. Molecules (2007) 12, 1092-100
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 (CH) | 71.2 |
| 2 (CH2) | 27.5 |
| 3 (CH2) | 30.7 |
| 4 (C) | 44 |
| 5 (CH) | 48.55 |
| 6 (CH2) | 25.81 |
| 7 (CH2) | 38.39 |
| 8 (C) | 148.62 |
| 9 (CH) | 48.34 |
| 10 (C) | 44 |
| 11 (CH2) | 19.58 |
| 12 (CH2) | 35.18 |
| 13 (CH) | 29.14 |
| 14 (CH2) | 38.81 |
| 15 (CH2) | 61.13 |
| 16 (CH3) | 20.55 |
| 17 (CH2) | 106.96 |
| 18 (CH3) | 28.71 |
| 19 (C) | 183.41 |
| 20 (CH3) | 13.24 |
