3β,22β-Diacetoxylup-20(29)-ene

3β,22β-Diacetoxylup-20(29)-ene

Common Name: 3β,22β-Diacetoxylup-20(29)-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C34H54O4/c1-20(2)23-19-28(38-22(4)36)32(8)17-18-33(9)24(29(23)32)11-12-26-31(7)15-14-27(37-21(3)35)30(5,6)25(31)13-16-34(26,33)10/h23-29H,1,11-19H2,2-10H3/t23-,24+,25-,26+,27-,28+,29+,31-,32-,33+,34+/m0/s1

InChIKey: InChIKey=TUGSGHZGSJHCDH-IVISHYPOSA-N

Formula: C34H54O4

Molecular Weight: 526.791441

Exact Mass: 526.40221

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - David, J.P., Ferrari, J., David, J.M., Guimaraes, A.G., Lima, F., de Souza, G.L.S. J Braz Chem Soc (2007) 18, 1585-9

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) 38.2
2 (CH2) 23.5
3 (CH) 81.2
4 (C) 37.7
5 (CH) 55.2
6 (CH2) 18
7 (CH2) 34
8 (C) 40.7
9 (CH) 50.1
10 (C) 36.9
11 (CH2) 20.7
12 (CH2) 24.7
13 (CH) 37.3
14 (C) 42.5
15 (CH2) 26.3
16 (CH2) 33.3
17 (C) 44.5
18 (CH) 44.7
19 (CH) 45.8
20 (C) 149.1
21 (CH2) 35.4
22 (CH) 80.8
23 (CH3) 27.8
24 (CH3) 16
25 (CH3) 16.4
26 (CH3) 15.8
27 (CH3) 14.3
28 (CH3) 12.6
29 (CH2) 110.4
30 (CH3) 19.1
3a (C) 170.9
3b (CH3) 21.1
22a (C) 171
22b (CH3) 21.2