Spektraris NMR
24-methylene-cholest-5-en-3beta,17alpha,22S-triol
Common Name: 24-methylene-cholest-5-en-3beta,17alpha,22S-triol
Synonyms: 24-methylene-cholest-5-en-3beta,17alpha,22S-triol
CAS Registry Number:
InChI: InChI=1S/C28H46O3/c1-17(2)18(3)15-25(30)19(4)28(31)14-11-24-22-8-7-20-16-21(29)9-12-26(20,5)23(22)10-13-27(24,28)6/h7,17,19,21-25,29-31H,3,8-16H2,1-2,4-6H3/t19-,21+,22-,23+,24+,25+,26+,27+,28+/m1/s1
InChIKey: InChIKey=KBTPEFUFGHDLIZ-VKIAQROPSA-N
Formula: C28H46O3
Molecular Weight: 430.664095
Exact Mass: 430.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, S.Y., Wen, Z.H., Wang, S.K., Chiang, M.Y., El-Gamal, A.A., Dai, C.F., Duh, C.Y. Chem Biodiversity (2009) 6, 86-95
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) | 37.2 |
| 2 (CH2) | 31.6 |
| 3 (CH) | 71.7 |
| 4 (CH2) | 42.2 |
| 5 (C) | 140.6 |
| 6 (CH) | 121.6 |
| 7 (CH2) | 31.8 |
| 8 (CH) | 32.3 |
| 9 (CH) | 49.6 |
| 10 (C) | 36.4 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 32.3 |
| 13 (C) | 47.3 |
| 14 (CH) | 50.9 |
| 15 (CH2) | 23.6 |
| 16 (CH2) | 38 |
| 17 (C) | 87.5 |
| 18 (CH3) | 14.5 |
| 19 (CH3) | 19.4 |
| 20 (CH) | 41.6 |
| 21 (CH3) | 7.5 |
| 22 (CH) | 71.5 |
| 23 (CH2) | 40.6 |
| 24 (C) | 152.7 |
| 25 (CH) | 33.6 |
| 26 (CH3) | 21.8 |
| 27 (CH3) | 21.9 |
| 24a (CH2) | 109.5 |
