Stigmast-4-ene-3,6-dione

Stigmast-4-ene-3,6-dione

Common Name: Stigmast-4-ene-3,6-dione

Synonyms: Stigmast-4-ene-3,6-dione

CAS Registry Number:

InChI: InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1

InChIKey: InChIKey=UVFOCYGYACXLAY-ZDQUCUCBSA-N

Formula: C29H46O2

Molecular Weight: 426.675426

Exact Mass: 426.349781

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) 35.6
2 (CH2) 34
3 (C) 202.3
4 (CH) 125.5
5 (C) 161.1
6 (C) 199.5
7 (CH2) 46.8
8 (CH) 34.2
9 (CH) 51
10 (C) 39.8
11 (CH2) 20.9
12 (CH2) 39.2
13 (C) 42.6
14 (CH) 56.6
15 (CH2) 24
16 (CH2) 28
17 (CH) 55.9
18 (CH3) 12
19 (CH3) 17.5
20 (CH) 36.1
21 (CH3) 18.7
22 (CH2) 33.8
23 (CH2) 26.1
24 (CH) 45.8
25 (CH) 29.2
26 (CH3) 19
27 (CH3) 19.8
24a (CH2) 23.1
24b (CH3) 11.9