Spektraris NMR
tetrahymanol
Common Name: tetrahymanol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-25(2)15-9-16-27(5)20(25)12-18-29(7)22(27)10-11-23-28(6)17-14-24(31)26(3,4)21(28)13-19-30(23,29)8/h20-24,31H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=BFNSRKHIVITRJP-VJBYBJRLSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
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) | 38.7 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 79 |
| 4 (C) | 38.8 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.1 |
| 8 (C) | 41.9 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 21.3 |
| 13 (CH) | 50.3 |
| 14 (C) | 41.7 |
| 15 (CH2) | 33.1 |
| 16 (CH2) | 18.7 |
| 17 (CH) | 56.3 |
| 18 (C) | 37.3 |
| 19 (CH2) | 40.3 |
| 20 (CH2) | 18.7 |
| 21 (CH2) | 42.1 |
| 22 (C) | 33.2 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.5 |
| 27 (CH3) | 15.9 |
| 28 (CH3) | 15.9 |
| 29 (CH3) | 21.5 |
| 30 (CH3) | 33.4 |
