22E,24R-5a,6a-Epoxyergosta-8(14),22-diene-3b,7a-diol

22E,24R-5a,6a-Epoxyergosta-8(14),22-diene-3b,7a-diol

Common Name: 22E,24R-5a,6a-Epoxyergosta-8(14),22-diene-3b,7a-diol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H44O3/c1-16(2)17(3)7-8-18(4)20-9-10-21-23-22(12-13-26(20,21)5)27(6)14-11-19(29)15-28(27)25(31-28)24(23)30/h7-8,16-20,22,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,22?,24-,25-,26+,27+,28-/m0/s1

InChIKey: InChIKey=MEIJIKXWOMTKCH-WXPPNZAUSA-N

Formula: C28H44O3

Molecular Weight: 428.648213

Exact Mass: 428.329045

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) 32.35
2 (CH2) 27.76
3 (CH) 68.29
4 (CH2) 40.88
5 (C) 66.95
6 (CH) 62.53
7 (CH) 65.24
8 (C) 127.36
9 (CH) 39.57
10 (C) 36.5
11 (CH2) 19.62
12 (CH2) 37.11
13 (C) 43.22
14 (C) 150.5
15 (CH2) 25.18
16 (CH2) 33.05
17 (CH) 57.31
18 (CH3) 18.43
19 (CH3) 16.71
20 (CH) 40.13
21 (CH3) 21.51
22 (CH) 136.01
23 (CH) 132.32
24 (CH) 43.12
25 (CH) 33.38
26 (CH3) 19.86
27 (CH3) 20.14
28 (CH3) 17.81