Spektraris NMR
(3β)-γcer-16-en-3-ol
Common Name: (3β)-γcer-16-en-3-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O/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/h12,21-24,31H,9-11,13-19H2,1-8H3/t21-,22+,23+,24-,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=PUTXDAKUBZBEOG-VTYFQIIBSA-N
Formula: C30H50O1
Molecular Weight: 426.71852
Exact Mass: 426.386166
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) | 27.4 |
| 3 (CH) | 79.1 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.5 |
| 8 (C) | 41.3 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 22.7 |
| 13 (CH) | 46.5 |
| 14 (C) | 39.4 |
| 15 (CH2) | 33.4 |
| 16 (CH) | 117.8 |
| 17 (C) | 147.7 |
| 18 (C) | 37.7 |
| 19 (CH2) | 41.5 |
| 20 (CH2) | 18.2 |
| 21 (CH2) | 41.8 |
| 22 (C) | 36.1 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 29.9 |
| 29 (CH3) | 20.6 |
| 30 (CH3) | 33.5 |
