3β,4β-Dihydroxy-2β-acetoxypregnan-16-one

3β,4β-Dihydroxy-2β-acetoxypregnan-16-one

Common Name: 3β,4β-Dihydroxy-2β-acetoxypregnan-16-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H36O5/c1-5-14-18(25)10-17-13-6-7-16-20(26)21(27)19(28-12(2)24)11-23(16,4)15(13)8-9-22(14,17)3/h13-17,19-21,26-27H,5-11H2,1-4H3/t13-,14+,15+,16+,17+,19+,20-,21+,22-,23-/m1/s1

InChIKey: InChIKey=SCCGQICCMKBLST-CEQIMMHESA-N

Formula: C23H36O5

Molecular Weight: 392.529817

Exact Mass: 392.256274

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lin, L.G., Tang, C.P., Ke, C.Q., Zhang, Y., Ye, Y. J Nat Prod (2008) 71, 628-32

Species:

Notes: Family : Steroids, Type : Pregnanes; 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) 40.4
2 (CH) 72.9
3 (CH) 74.6
4 (CH) 71
5 (CH) 48.9
6 (CH2) 25.1
7 (CH2) 32.4
8 (CH) 34
9 (CH) 56
10 (C) 35
11 (CH2) 20.1
12 (CH2) 38.1
13 (C) 42.1
14 (CH) 50.5
15 (CH2) 38.5
16 (C) 219.5
17 (CH) 65.3
18 (CH3) 13.6
19 (CH3) 16.2
20 (CH2) 17.6
22 (CH3) 13.5
2a (C) 171.3
2b (CH3) 21.5