Spektraris NMR
Cryptomeridiol isocupressic acid, ether
Common Name: Cryptomeridiol isocupressic acid, ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O4/c1-24(11-13-27-25(2)12-14-28-33(27,6)18-10-19-34(28,7)30(36)37)16-22-39-35(8)20-9-17-32(5)21-15-26(23-29(32)35)31(3,4)38/h16,26-29,38H,2,9-15,17-23H2,1,3-8H3,(H,36,37)/b24-16+/t26-,27+,28-,29?,32-,33-,34+,35-/m1/s1
InChIKey: InChIKey=UQJZUXVCXDZBFM-NOZPGFHASA-N
Formula: C35H58O4
Molecular Weight: 542.83394
Exact Mass: 542.43351
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, W.C., Fang, J.M., Cheng, Y.S. Phytochemistry (1994) 37, 1109-14
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) | 39.1 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 38 |
| 4 (C) | 44.1 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 26.1 |
| 7 (CH2) | 38.7 |
| 8 (C) | 147.9 |
| 9 (CH) | 55.6 |
| 10 (C) | 40.4 |
| 11 (CH2) | 22 |
| 12 (CH2) | 38.6 |
| 13 (C) | 138.6 |
| 14 (CH) | 122.2 |
| 15 (CH2) | 56.8 |
| 16 (CH3) | 16.5 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 29 |
| 19 (C) | 183.2 |
| 20 (CH3) | 12.8 |
| 1' (CH2) | 40.9 |
| 2' (CH2) | 19.8 |
| 3' (CH2) | 37.2 |
| 4' (C) | 76.6 |
| 5' (CH) | 50.7 |
| 6' (CH2) | 21.6 |
| 7' (CH) | 49.7 |
| 8' (CH2) | 22.4 |
| 9' (CH2) | 45 |
| 10' (C) | 34.5 |
| 11' (C) | 73.1 |
| 12' (CH3) | 26.9 |
| 13' (CH3) | 27.3 |
| 14' (CH3) | 19.2 |
| 15' (CH3) | 19.7 |
