1,2-dihydro-3β-hydroxy-7-deacetoxy-7-oxogedunin

1,2-dihydro-3β-hydroxy-7-deacetoxy-7-oxogedunin

Common Name: 1,2-dihydro-3β-hydroxy-7-deacetoxy-7-oxogedunin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H34O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h8,11,13,15-17,19-20,27H,6-7,9-10,12H2,1-5H3/t15-,16+,17+,19+,20-,23-,24+,25+,26-/m1/s1

InChIKey: InChIKey=PHTAMFNWUKAAAC-PESSHVGISA-N

Formula: C26H34O6

Molecular Weight: 442.545549

Exact Mass: 442.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ambrozin, A.R.P., Leite, A.C., Bueno, F.C., Vieira, P.C., Fernandes, J.B., Bueno, O.C., da Silva, M., Pagnocca, F.C., Hebling, M.J.A., Bacci, M. J. Braz. Chem. Soc. (2006) 17, 542-7

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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) 38.3
2 (CH2) 26.9
3 (CH) 78.2
4 (C) 39.5
5 (CH) 56.8
6 (CH2) 36.5
7 (C) 210
8 (C) 52.9
9 (CH) 52.4
10 (C) 37.5
11 (CH2) 16.8
12 (CH2) 32.4
13 (C) 37.6
14 (C) 65.7
15 (CH) 53.6
16 (C) 167.3
17 (CH) 78.1
18 (CH3) 20.9
19 (CH3) 16.9
20 (C) 120.4
21 (CH) 141
22 (CH) 109.9
23 (CH) 143
28 (CH3) 27.4
29 (CH3) 14.8
30 (CH3) 17.1