3beta,5beta-Dihydroxystigmastane-6-one

3beta,5beta-Dihydroxystigmastane-6-one

Common Name: 3beta,5beta-Dihydroxystigmastane-6-one

Synonyms: 3beta,5beta-Dihydroxystigmastane-6-one

CAS Registry Number:

InChI: InChI=1S/C29H50O3/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(31)29(32)17-21(30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-25,30,32H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,27-,28-,29-/m1/s1

InChIKey: InChIKey=PMNNRRLMGLZYLF-NDDUEHJASA-N

Formula: C29H50O3

Molecular Weight: 446.706593

Exact Mass: 446.375995

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kovganko, N.V., Chernov, Y.G. Chem Nat Compd (2001) 37, 351-5

Species:

Notes: Family : Steroids, Type : Stigmastanes; 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) 24.9
2 (CH2) 27.9
3 (CH) 65.5
4 (CH2) 37.2
5 (C) 81.9
6 (C) 212.7
7 (CH2) 41.5
8 (CH) 37.4
9 (CH) 42.9
10 (C) 44.1
11 (CH2) 21.6
12 (CH2) 39.5
13 (C) 43.1
14 (CH) 57
15 (CH2) 24
16 (CH2) 28
17 (CH) 56
18 (CH3) 12
19 (CH3) 17
20 (CH) 36
21 (CH3) 18.7
22 (CH2) 33.8
23 (CH2) 26.1
24 (CH) 45.8
25 (CH) 29.1
26 (CH3) 19
27 (CH3) 19.8
24a (CH2) 23.1
24b (CH3) 12