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

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

Common Name: 22E,24R-5a,6a-Epoxyergosta-8,22-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/h7-8,16-21,24-25,29-30H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,21?,24-,25-,26+,27+,28-/m0/s1

InChIKey: InChIKey=PCIZFQVDNDHRPP-FTARVDCESA-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) 32.07
2 (CH2) 31.08
3 (CH) 68.21
4 (CH2) 40.45
5 (C) 64.77
6 (CH) 63.71
7 (CH) 67.08
8 (C) 133.86
9 (C) 128.33
10 (C) 38.81
11 (CH2) 24.16
12 (CH2) 36.34
13 (C) 42.48
14 (CH) 50.7
15 (CH2) 24.24
16 (CH2) 29.61
17 (CH) 54.11
18 (CH3) 11.66
19 (CH3) 22.66
20 (CH) 40.8
21 (CH3) 21.35
22 (CH) 136.28
23 (CH) 132.2
24 (CH) 43.1
25 (CH) 33.38
26 (CH3) 19.86
27 (CH3) 20.14
28 (CH3) 17.84