Betulonic acid

Betulonic acid

Common Name: Betulonic acid

Synonyms: Betulonic acid

CAS Registry Number:

InChI: InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-22,24H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,24+,27-,28+,29+,30-/m0/s1

InChIKey: InChIKey=SLJTWDNVZKIDAU-SVAFSPIFSA-N

Formula: C30H46O3

Molecular Weight: 454.685566

Exact Mass: 454.344695

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Samoshina, N.F., Denisenko, M.V., Denisenko, V.A., Uvarova, N.I. Chem Nat Compd (2003) 39, 575-82

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) 39.6
2 (CH2) 34.2
3 (C) 218.4
4 (C) 47.4
5 (CH) 55
6 (CH2) 19.7
7 (CH2) 33.6
8 (C) 39.6
9 (CH) 49.9
10 (C) 37.1
11 (CH2) 21.4
12 (CH2) 25.5
13 (CH) 38.6
14 (C) 42.5
15 (CH2) 30.6
16 (CH2) 32.2
17 (C) 56.5
18 (CH) 47.4
19 (CH) 49.9
20 (C) 150.4
21 (CH2) 30.6
22 (CH2) 37.1
23 (CH3) 26.7
24 (CH3) 21
25 (CH3) 15.9
26 (CH3) 16
27 (CH3) 14.7
28 (C) 182.5
29 (CH2) 109.8
30 (CH3) 19.6