8r-9r-Epoxy-4,4,14r-trimethyl-3,7,11,15,20-pentaoxo-5r-pregnane

8r-9r-Epoxy-4,4,14r-trimethyl-3,7,11,15,20-pentaoxo-5r-pregnane

Common Name: 8r-9r-Epoxy-4,4,14r-trimethyl-3,7,11,15,20-pentaoxo-5r-pregnane

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H30O6/c1-12(25)13-9-16(27)22(6)21(13,5)11-18(29)23-20(4)8-7-15(26)19(2,3)14(20)10-17(28)24(22,23)30-23/h13-14H,7-11H2,1-6H3/t13-,14+,20+,21-,22-,23+,24+/m1/s1

InChIKey: InChIKey=NZNMCSYRDNCBPL-BNAOJXJXSA-N

Formula: C24H30O6

Molecular Weight: 414.492314

Exact Mass: 414.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gonzalez, A.G., Leon, F., Rivera, A., Padron, J.I., Gonzalez-Plata, J., Zuluaga, J.C., Quintana, J., Estevez, F., Bermejo, J. J Nat Prod (2002) 65, 417-21

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) 32.36
2 (CH2) 32.21
3 (C) 214.1
4 (C) 47.04
5 (CH) 43.53
6 (CH2) 36.71
7 (C) 198.3
8 (C) 66.78
9 (C) 68.12
10 (C) 37.37
11 (C) 200.6
12 (CH2) 46.01
13 (C) 45.53
14 (C) 54.84
15 (C) 205.9
16 (CH2) 36.39
17 (CH) 52.43
18 (CH3) 19.57
19 (CH3) 16.3
20 (C) 205.2
21 (CH3) 31.16
28 (CH3) 26.85
29 (CH3) 20.26
30 (CH3) 17.47