Spektraris NMR
Hyousterones C
Common Name: Hyousterones C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O6/c1-16(7-6-9-23(2,3)31)17-8-10-26(32)22-14-19(28)18-13-20(29)21(30)15-25(18,5)27(22,33)12-11-24(17,26)4/h13-14,16-17,20-21,29-33H,6-12,15H2,1-5H3/t16-,17-,20+,21-,24-,25+,26-,27-/m1/s1
InChIKey: InChIKey=FTLSNJYQNPACDY-IXPAMECOSA-N
Formula: C27H42O6
Molecular Weight: 462.61981
Exact Mass: 462.298139
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Miyata, Y., Diyabalanage, T., Amsler, C.D., McClintock, J.B., Valeriote, F.A., Baker, B.J. J Nat Prod (2007) 70, 1859-64
Species:
Notes: Family : Steroids, Type : Cholestanes; 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) | 31.5 |
| 2 (CH) | 66 |
| 3 (CH) | 64.4 |
| 4 (CH) | 133.5 |
| 5 (C) | 141.5 |
| 6 (C) | 187.8 |
| 7 (CH) | 124 |
| 8 (C) | 162.2 |
| 9 (C) | 73.5 |
| 10 (C) | 44.9 |
| 11 (CH2) | 27.6 |
| 12 (CH2) | 29.3 |
| 13 (C) | 46 |
| 14 (C) | 84.9 |
| 15 (CH2) | 30.1 |
| 16 (CH2) | 26.3 |
| 17 (CH) | 50 |
| 18 (CH3) | 15.7 |
| 19 (CH3) | 25 |
| 20 (CH) | 35.1 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 36.4 |
| 23 (CH2) | 20.5 |
| 24 (CH2) | 44.2 |
| 25 (C) | 69 |
| 26 (CH3) | 29.5 |
| 27 (CH3) | 29.5 |
