Spektraris NMR
Palmitoyl arucadiol, 1,2,3,4-tetrahydro-5-hydroxy-7-isopropyl-1,1-dimethyl-4-oxophenanthren-6-yl palmitate
Common Name: Palmitoyl arucadiol, 1,2,3,4-tetrahydro-5-hydroxy-7-isopropyl-1,1-dimethyl-4-oxophenanthren-6-yl palmitate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)39-34-27(25(2)3)24-26-20-21-28-32(31(26)33(34)38)29(36)22-23-35(28,4)5/h20-21,24-25,38H,6-19,22-23H2,1-5H3
InChIKey: InChIKey=RVIVTXRCWKEIJS-UHFFFAOYSA-N
Formula: C35H52O4
Molecular Weight: 536.786295
Exact Mass: 536.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Don, M.J., Shen, C.C., Syu, W.J., Ding, Y.H., Sun, C.M. Phytochemistry (2006) 67, 497-503
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (C) | 205 |
| 2 (CH2) | 36.5 |
| 3 (CH2) | 35.4 |
| 4 (C) | 36.2 |
| 5 (C) | 157.6 |
| 6 (CH) | 122.9 |
| 7 (CH) | 137.5 |
| 8 (C) | 132.2 |
| 9 (C) | 121.4 |
| 10 (C) | 127.7 |
| 11 (C) | 145.1 |
| 12 (C) | 138.1 |
| 13 (C) | 141.7 |
| 14 (CH) | 117.3 |
| 15 (CH) | 28 |
| 16 (CH3) | 22.8 |
| 17 (CH3) | 22.8 |
| 18 (CH3) | 29.6 |
| 19 (CH3) | 29.6 |
| 12a (C) | 171.9 |
| 12b (CH2) | 34.2 |
| 12c (CH2) | 25.1 |
| 12d (CH2) | 25.1 |
| 12e (CH2) | 25.1 |
| 12f (CH2) | 25.1 |
| 12g (CH2) | 25.1 |
| 12h (CH2) | 25.1 |
| 12i (CH2) | 25.1 |
| 12j (CH2) | 25.1 |
| 12k (CH2) | 25.1 |
| 12l (CH2) | 25.1 |
| 12m (CH2) | 25.1 |
| 12n (CH2) | 25.1 |
| 12o (CH2) | 25.1 |
| 12p (CH3) | 14.1 |
