Spektraris NMR
(24S)-5alpha-Cholestane-3beta,6alpha,8beta,15beta,24-pentol
Common Name: (24S)-5alpha-Cholestane-3beta,6alpha,8beta,15beta,24-pentol
Synonyms: (24S)-5alpha-Cholestane-3beta,6alpha,8beta,15beta,24-pentol
CAS Registry Number:
InChI: InChI=1S/C27H48O5/c1-15(2)20(29)7-6-16(3)18-13-21(30)24-26(18,5)11-9-23-25(4)10-8-17(28)12-19(25)22(31)14-27(23,24)32/h15-24,28-32H,6-14H2,1-5H3/t16-,17+,18-,19-,20+,21-,22+,23-,24-,25+,26-,27+/m1/s1
InChIKey: InChIKey=SOWQHVUKEGVMMG-SASNHPFXSA-N
Formula: C27H48O5
Molecular Weight: 452.66805
Exact Mass: 452.350175
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, W., Li, F., Park, Y., Hong, J., Lee, C.O., Kong, J.Y., Shin, S., Im, K.S., Jung, J.H. J Nat Prod (2003) 66, 384-91
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) | 39.4 |
| 2 (CH2) | 31.5 |
| 3 (CH) | 72.2 |
| 4 (CH2) | 32.3 |
| 5 (CH) | 53.9 |
| 6 (CH) | 67.7 |
| 7 (CH2) | 49.6 |
| 8 (C) | 77.5 |
| 9 (CH) | 57.4 |
| 10 (C) | 38 |
| 11 (CH2) | 19.7 |
| 12 (CH2) | 43.4 |
| 13 (C) | 44.4 |
| 14 (CH) | 62.6 |
| 15 (CH) | 71.1 |
| 16 (CH2) | 42.5 |
| 17 (CH) | 58 |
| 18 (CH3) | 16.5 |
| 19 (CH3) | 14.1 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 19.5 |
| 22 (CH2) | 33.3 |
| 23 (CH2) | 31.7 |
| 24 (CH) | 78.1 |
| 25 (CH) | 34.5 |
| 26 (CH3) | 19 |
| 27 (CH3) | 17.5 |
