Spektraris NMR
chabrosterol
Common Name: chabrosterol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O2/c1-16(2)17(3)6-7-18(4)23-10-11-24-26-22(12-13-27(23,24)5)21-9-8-20(28)14-19(21)15-25(26)29/h16,18,20,22-24,26,28H,3,6-15H2,1-2,4-5H3/t18-,20+,22-,23-,24+,26-,27-/m1/s1
InChIKey: InChIKey=HCAOCWWIFOSXAJ-VNESDUEWSA-N
Formula: C27H42O2
Molecular Weight: 398.622191
Exact Mass: 398.318481
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, S.Y., Huang, Y.C., Wen, Z.H., Chiou, S.F., Wang, S.K., Hsu, C.H., Dai, C.F., Duh, C.Y. Tetrahedron Lett (2009) 50, 802-6
Species:
Notes: Family : Steroids, Type : Ergostanes; 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) | 24.4 |
| 2 (CH2) | 28.8 |
| 3 (CH) | 65 |
| 4 (CH2) | 31.3 |
| 5 (C) | 158.6 |
| 6 (CH2) | 43.2 |
| 7 (C) | 199.1 |
| 8 (CH) | 39.4 |
| 9 (CH) | 46.2 |
| 10 (C) | 128.8 |
| 11 (CH2) | 24.5 |
| 12 (CH2) | 39.8 |
| 13 (C) | 42.5 |
| 14 (CH) | 55 |
| 15 (CH2) | 23.4 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 55.9 |
| 18 (CH3) | 12 |
| 20 (CH) | 35.6 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 34.6 |
| 23 (CH2) | 30.9 |
| 24 (C) | 156.7 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 22 |
| 24a (CH2) | 106 |
