Spektraris NMR
Acetyl torulosol
Common Name: Acetyl torulosol
Synonyms: Acetyl torulosol
CAS Registry Number:
InChI: InChI=1S/C22H36O3/c1-7-21(5,24)14-11-18-16(2)9-10-19-20(4,15-25-17(3)23)12-8-13-22(18,19)6/h7,18-19,24H,1-2,8-15H2,3-6H3/t18-,19-,20+,21-,22+/m0/s1
InChIKey: InChIKey=WHCFTASMFFLYLQ-BIRZXAFVSA-N
Formula: C22H36O3
Molecular Weight: 348.520272
Exact Mass: 348.266445
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) | 38.9 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 36.3 |
| 4 (C) | 37.3 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 24.5 |
| 7 (CH2) | 38.5 |
| 8 (C) | 147.9 |
| 9 (CH) | 57.3 |
| 10 (C) | 39.7 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 41.3 |
| 13 (C) | 73.6 |
| 14 (CH) | 145.1 |
| 15 (CH2) | 111.7 |
| 16 (CH3) | 27.5 |
| 17 (CH2) | 106.8 |
| 18 (CH3) | 28.1 |
| 19 (CH2) | 66.8 |
| 20 (CH3) | 61.5 |
| 19a (C) | 171.3 |
| 19b (CH3) | 20.9 |
