Spektraris NMR
ent-18-Acetoxy-6α-hydroxymanoyl oxide
Common Name: ent-18-Acetoxy-6α-hydroxymanoyl oxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-7-20(4)12-9-17-21(5)11-8-10-19(3,14-23)18(21)16(25-15(2)24)13-22(17,6)26-20/h7,16-18,23H,1,8-14H2,2-6H3/t16-,17+,18-,19-,20+,21+,22+/m1/s1
InChIKey: InChIKey=XNQCBWLXCIBJAM-LVXVCZMBSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ghoumari, H., Benajiba, M.H., Garcia-Granados, A., Fernandez, A., Martinez, A., Rivas, F., Arias, J.M. Phytochemistry (2006) 67, 2294-302
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) | 38.8 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 37.9 |
| 4 (C) | 37.6 |
| 5 (CH) | 51.1 |
| 6 (CH) | 73.7 |
| 7 (CH2) | 49.3 |
| 8 (C) | 73.6 |
| 9 (CH) | 57.8 |
| 10 (C) | 37.9 |
| 11 (CH2) | 16.1 |
| 12 (CH2) | 34.6 |
| 13 (C) | 71.1 |
| 14 (CH) | 147.2 |
| 15 (CH2) | 109.9 |
| 16 (CH3) | 32.5 |
| 17 (CH3) | 25.1 |
| 18 (CH2) | 74.7 |
| 19 (CH3) | 18 |
| 20 (CH3) | 17.2 |
| 6a (C) | 169.4 |
| 6b (CH3) | 21.7 |
