Spektraris NMR
(24R)-24-Hydroxystigmast-4-en-3-one
Common Name: (24R)-24-Hydroxystigmast-4-en-3-one
Synonyms: (24R)-24-Hydroxystigmast-4-en-3-one
CAS Registry Number:
InChI: InChI=1S/C29H48O2/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/h18-20,23-26,31H,7-17H2,1-6H3/t20-,23+,24-,25+,26+,27+,28-,29-/m1/s1
InChIKey: InChIKey=SKWUTEXGCRQZDM-MSQWPGBUSA-N
Formula: C29H48O2
Molecular Weight: 428.691307
Exact Mass: 428.365431
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) | 35.7 |
| 2 (CH2) | 33.99 |
| 3 (C) | 199.68 |
| 4 (CH) | 123.76 |
| 5 (C) | 171.68 |
| 6 (CH2) | 32.95 |
| 7 (CH2) | 32.04 |
| 8 (CH) | 35.62 |
| 9 (CH) | 53.79 |
| 10 (C) | 38.6 |
| 11 (CH2) | 21.03 |
| 12 (CH2) | 39.61 |
| 13 (C) | 42.42 |
| 14 (CH) | 55.87 |
| 15 (CH2) | 24.18 |
| 16 (CH2) | 28.23 |
| 17 (CH) | 55.9 |
| 18 (CH3) | 11.95 |
| 19 (CH3) | 17.83 |
| 20 (CH) | 36.39 |
| 21 (CH3) | 18.72 |
| 22 (CH2) | 29.05 |
| 23 (CH2) | 31.8 |
| 24 (C) | 75.99 |
| 25 (CH) | 33.93 |
| 26 (CH3) | 16.84 |
| 27 (CH3) | 16.68 |
| 24a (CH2) | 28.44 |
| 24b (CH3) | 7.73 |
