(3β,13α,17α)-12,28-Dioxo-13,28-epoxyoleanan-3-yl acetate

(3β,13α,17α)-12,28-Dioxo-13,28-epoxyoleanan-3-yl acetate

Common Name: (3β,13α,17α)-12,28-Dioxo-13,28-epoxyoleanan-3-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H48O5/c1-19(33)36-24-10-11-28(6)20(27(24,4)5)9-12-29(7)21(28)17-23(34)32-22-18-26(2,3)13-15-31(22,25(35)37-32)16-14-30(29,32)8/h20-22,24H,9-18H2,1-8H3/t20-,21+,22+,24-,28-,29+,30-,31-,32+/m0/s1

InChIKey: InChIKey=CWTOUABHZIFLIH-INUMUNBOSA-N

Formula: C32H48O5

Molecular Weight: 512.72173

Exact Mass: 512.350175

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) 32.9
2 (CH2) 23.4
3 (CH) 80.3
4 (C) 37.2
5 (CH) 55
6 (CH2) 17.5
7 (CH2) 34.2
8 (C) 42.5
9 (CH) 51
10 (C) 37.9
11 (CH2) 37.3
12 (C) 206
13 (C) 91
14 (C) 43.7
15 (CH2) 25.9
16 (CH2) 20.7
17 (C) 44
18 (CH) 44
19 (CH2) 38.1
20 (C) 31.6
21 (CH2) 37.4
22 (CH2) 27.3
23 (CH3) 27.9
24 (CH3) 16.4
25 (CH3) 18.6
26 (CH3) 15.9
27 (CH3) 18.2
28 (C) 178.5
29 (CH3) 33.2
30 (CH3) 23.8
3a (C) 171
3b (CH3) 21.3