5-Dihydroergosterol

5-Dihydroergosterol

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)

Carbon NMR Peaks

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