Spektraris NMR
(22E,24R)-5α,8α-Epidioxyergosta-6,22-dien-3β-ol
Common Name: (22E,24R)-5α,8α-Epidioxyergosta-6,22-dien-3β-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
InChIKey: InChIKey=VXOZCESVZIRHCJ-KGHQQZOUSA-N
Formula: C28H44O3
Molecular Weight: 428.648213
Exact Mass: 428.329045
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Du, Z.Z., Shen, Y.M. Helv Chim Acta (2006) 89, 2841-5
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) | 35.5 |
| 2 (CH2) | 31.3 |
| 3 (CH) | 65.9 |
| 4 (CH2) | 38.3 |
| 5 (C) | 82.3 |
| 6 (CH) | 136.2 |
| 7 (CH) | 130.9 |
| 8 (C) | 79.3 |
| 9 (CH) | 51.9 |
| 10 (C) | 37.5 |
| 11 (CH2) | 23.7 |
| 12 (CH2) | 39.6 |
| 13 (C) | 44.7 |
| 14 (CH) | 52.1 |
| 15 (CH2) | 21.2 |
| 16 (CH2) | 29.1 |
| 17 (CH) | 56.3 |
| 18 (CH3) | 13 |
| 19 (CH3) | 18.4 |
| 20 (CH) | 40.1 |
| 21 (CH3) | 21.1 |
| 22 (CH) | 135.9 |
| 23 (CH) | 132.3 |
| 24 (CH) | 43.1 |
| 25 (CH) | 33 |
| 26 (CH3) | 20.2 |
| 27 (CH3) | 19.9 |
| 24a (CH3) | 17.8 |
