Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C31H48O6/c1-18(2)9-8-10-19(3)23-11-12-24-22-15-28(34)31(35)17-27(37-21(5)33)26(36-20(4)32)16-30(31,7)25(22)13-14-29(23,24)6/h15,18-19,23-27,35H,8-14,16-17H2,1-7H3/t19-,23-,24+,25+,26-,27+,29-,30-,31+/m1/s1

InChIKey: InChIKey=CKFNKZCBZDRWFY-KBOXVVQVSA-N

Formula: C31H48O6

Molecular Weight: 516.710399

Exact Mass: 516.345089

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Kovganko, N.V., Sokolov, S.N. Chem Nat Compd (2001) 37, 162-6

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) 30.4
2 (CH) 68.2
3 (CH) 69
4 (CH2) 31.6
5 (C) 75.6
6 (C) 196.2
7 (CH) 119.9
8 (C) 165
9 (CH) 44.2
10 (C) 43
11 (CH2) 21.7
12 (CH2) 38.9
13 (C) 45
14 (CH) 55.8
15 (CH2) 22.5
16 (CH2) 27.7
17 (CH) 56.3
18 (CH3) 12.5
19 (CH3) 17
20 (CH) 36
21 (CH3) 18.8
22 (CH2) 36
23 (CH2) 23.9
24 (CH2) 39.4
25 (CH) 28
26 (CH3) 22.5
27 (CH3) 22.8
2a (C) 168.9
2b (CH3) 20.9
3a (C) 170.2
3b (CH3) 21.1