Spektraris NMR
(24S)-stigmast-5-ene-3,B,24-diol
Common Name: (24S)-stigmast-5-ene-3,B,24-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H50O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h8,19-20,22-26,30-31H,7,9-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29-/m1/s1
InChIKey: InChIKey=XKNWSLIOITZBGP-MEBFPAKGSA-N
Formula: C29H50O2
Molecular Weight: 430.707189
Exact Mass: 430.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kimizuka, K., Tanaka, Y. Chem Pharm Bull (1998) 46, 1408-11
Species:
Notes: Family : Steroids, Type : Poliferastanes; 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) | 37.29 |
| 2 (CH2) | 31.67 |
| 3 (CH) | 71.78 |
| 4 (CH2) | 42.35 |
| 5 (C) | 140.73 |
| 6 (CH) | 121.63 |
| 7 (CH2) | 31.92 |
| 8 (CH) | 31.92 |
| 9 (CH) | 50.14 |
| 10 (C) | 36.5 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 39.76 |
| 13 (C) | 42.35 |
| 14 (CH) | 56.77 |
| 15 (CH2) | 24.32 |
| 16 (CH2) | 28.26 |
| 17 (CH) | 55.94 |
| 18 (CH3) | 11.89 |
| 19 (CH3) | 19.39 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.81 |
| 22 (CH2) | 29.14 |
| 23 (CH2) | 31.92 |
| 24 (C) | 76.02 |
| 25 (CH) | 33.97 |
| 26 (CH3) | 16.86 |
| 27 (CH3) | 16.71 |
| 24a (CH2) | 28.46 |
| 24b (CH3) | 7.75 |
