Spektraris NMR
Tetrahymanol (wallichiniol) acetate
Common Name: Tetrahymanol (wallichiniol) acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O2/c1-21(33)34-26-15-18-30(7)23(28(26,4)5)14-20-32(9)25(30)12-11-24-29(6)17-10-16-27(2,3)22(29)13-19-31(24,32)8/h22-26H,10-20H2,1-9H3/t22-,23-,24+,25+,26-,29-,30-,31+,32+/m0/s1
InChIKey: InChIKey=DPJNHLGIKPTUJC-ZLCFVSOESA-N
Formula: C32H54O2
Molecular Weight: 470.771159
Exact Mass: 470.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shiojima K., Masuda K., Lin T., Suzuki H., Ageta H., Inoue M., Ishida T. Tetrahedron Lett (1989) 30, 4977
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Gammaceranes; 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) | 38.5 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 81 |
| 4 (C) | 37.9 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 33.4 |
| 8 (C) | 41.9 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 21.2 |
| 13 (CH) | 50.4 |
| 14 (C) | 42 |
| 15 (CH2) | 33.2 |
| 16 (CH2) | 18.8 |
| 17 (CH) | 56.3 |
| 18 (C) | 37.4 |
| 19 (CH2) | 40.5 |
| 20 (CH2) | 18.8 |
| 21 (CH2) | 42.3 |
| 22 (C) | 33.3 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 16.6 |
| 28 (CH3) | 16 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 33.3 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
