Common Name: 5-Dihydroergosterol
Synonyms: 5-Dihydroergosterol
CAS Registry Number:
InChI: InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,10,18-22,24-26,29H,9,11-17H2,1-6H3/b8-7+/t19-,20+,21-,22-,24+,25-,26-,27-,28+/m0/s1
InChIKey: InChIKey=QOXPZVASXWSKKU-UEIWAABPSA-N
Formula: C28H46O1
Molecular Weight: 398.665285
Exact Mass: 398.354866
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Keller, A.C., Maillard, M.P., Hostettmann, K. Phytochemistry (1996) 41, 1041-6
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)
Position | PPM |
---|---|
1 (CH2) | 37.1 |
2 (CH2) | 29.6 |
3 (CH) | 71 |
4 (CH2) | 38 |
5 (CH) | 40.2 |
6 (CH2) | 31.5 |
7 (CH) | 117.4 |
8 (C) | 139.6 |
9 (CH) | 49.4 |
10 (C) | 34.2 |
11 (CH2) | 21.5 |
12 (CH2) | 39.4 |
13 (C) | 43.3 |
14 (CH) | 55.1 |
15 (CH2) | 22.9 |
16 (CH2) | 28.1 |
17 (CH) | 55.9 |
18 (CH3) | 12.1 |
19 (CH3) | 13 |
20 (CH) | 40.5 |
21 (CH3) | 21.1 |
22 (CH) | 135.1 |
23 (CH) | 131.9 |
24 (CH) | 42.8 |
25 (CH) | 33.1 |
26 (CH3) | 17.6 |
27 (CH3) | 19.6 |
24a (CH3) | 19.9 |