Spektraris NMR
Ent-cryptomeridiol-4-yl-(-)-hinokiate
Common Name: Ent-cryptomeridiol-4-yl-(-)-hinokiate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)11-8-13-28(6)18-20(16-22-19-30(22,25)28)24(31)33-29(7)14-9-12-27(5)15-10-21(17-23(27)29)26(3,4)32/h16,21-23,32H,8-15,17-19H2,1-7H3/t21-,22+,23-,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=HMFUDIJCAIZKOV-SVTKINEPSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gao, H.Y., Wu, L.J., Muto, N., Fuchino, H., Nakane, T., Shirota, O., Sano, T., Kuroyanagi, M. Chem Pharm Bull (2008) 56, 1030-4
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 (CH2) | 40.5 |
| 2 (CH2) | 19.7 |
| 3 (CH2) | 38.1 |
| 4 (C) | 85.6 |
| 5 (CH) | 52.2 |
| 6 (CH2) | 22.2 |
| 7 (CH) | 49.8 |
| 8 (CH2) | 22.4 |
| 9 (CH2) | 44.8 |
| 10 (C) | 34.7 |
| 11 (C) | 72.8 |
| 12 (CH3) | 27.1 |
| 13 (CH3) | 27.2 |
| 14 (CH3) | 19.1 |
| 15 (CH3) | 18.8 |
| 1' (CH2) | 36.9 |
| 2' (CH2) | 19.4 |
| 3' (CH2) | 40 |
| 4' (C) | 33.9 |
| 5' (C) | 34.6 |
| 6' (CH) | 16.8 |
| 7' (CH) | 133.5 |
| 8' (C) | 131.4 |
| 9' (CH2) | 41.4 |
| 10' (C) | 31.4 |
| 11' (CH2) | 11.4 |
| 12' (C) | 166.1 |
| 13' (CH3) | 29 |
| 14' (CH3) | 26.8 |
| 15' (CH3) | 28.3 |
