3β,11α-Dihydroxy-5β,6β-epoxy-9,11-secocholestan-9-one

3β,11α-Dihydroxy-5β,6β-epoxy-9,11-secocholestan-9-one

Common Name: 3β,11α-Dihydroxy-5β,6β-epoxy-9,11-secocholestan-9-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23-27(31-23)16-19(29)11-12-26(27,5)24(20)30/h17-23,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23-,25-,26-,27-/m1/s1

InChIKey: InChIKey=QKTFOALELBKRRS-YBHPAICNSA-N

Formula: C27H46O4

Molecular Weight: 434.652764

Exact Mass: 434.33961

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Duh, C.Y., Li, C.H., Wang, S.K., Dai, C.F. J Nat Prod (2006) 69, 1188-92

Species:

Notes: Family : Steroids, Type : Cholestanes; 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) 28.6
2 (CH2) 30.5
3 (CH) 68
4 (CH2) 38.5
5 (C) 65.6
6 (CH) 58.2
7 (CH2) 26.2
8 (CH) 38.9
9 (C) 214.7
10 (C) 46.6
11 (CH2) 58.8
12 (CH2) 41.1
13 (C) 45.7
14 (CH) 45.2
15 (CH2) 22.5
16 (CH2) 28.2
17 (CH) 49.6
18 (CH3) 18.2
19 (CH3) 19.7
20 (CH) 35.5
21 (CH3) 19.5
22 (CH2) 34.1
23 (CH2) 24.6
24 (CH2) 39.5
25 (CH) 30.5
26 (CH3) 23.2
27 (CH3) 23.2