Spektraris NMR
22E,24R-Ergosta-7,22-diene-3b,5a,6b,9a-tetraol
Common Name: 22E,24R-Ergosta-7,22-diene-3b,5a,6b,9a-tetraol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h7-8,15,17-22,24,29-32H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22?,24+,25+,26+,27+,28-/m0/s1
InChIKey: InChIKey=NYMHFYDQBMRBMB-XWOYPOLRSA-N
Formula: C28H46O4
Molecular Weight: 446.6635
Exact Mass: 446.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yue J.M., Chen S.N., Lin Z.W., Sun H.D. Phytochemistry (2001) 56, 801-6
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) | 29.14 |
| 2 (CH2) | 32.46 |
| 3 (CH) | 67.38 |
| 4 (CH2) | 42.09 |
| 5 (C) | 75.06 |
| 6 (CH) | 73.87 |
| 7 (CH) | 121.31 |
| 8 (C) | 143.04 |
| 9 (C) | 78.72 |
| 10 (C) | 41.35 |
| 11 (CH2) | 28.53 |
| 12 (CH2) | 36 |
| 13 (C) | 44.23 |
| 14 (CH) | 51.3 |
| 15 (CH2) | 23.5 |
| 16 (CH2) | 28.27 |
| 17 (CH) | 56.33 |
| 18 (CH3) | 12.13 |
| 19 (CH3) | 22.44 |
| 20 (CH) | 40.77 |
| 21 (CH3) | 21.4 |
| 22 (CH) | 136.23 |
| 23 (CH) | 132.2 |
| 24 (CH) | 43.13 |
| 25 (CH) | 33.36 |
| 26 (CH3) | 19.85 |
| 27 (CH3) | 20.14 |
| 28 (CH3) | 17.66 |
