3-Epi-amyrin, 3,16-dihydroxyolean-12-ene

3-Epi-amyrin, 3,16-dihydroxyolean-12-ene

Common Name: 3-Epi-amyrin, 3,16-dihydroxyolean-12-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H50O2/c1-25(2)15-16-27(5)20(17-25)19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-29(22,7)30(19,8)18-24(27)32/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23+,24-,27-,28-,29+,30+/m0/s1

InChIKey: InChIKey=VLRYIIPJIVGFIV-VJBYBJRLSA-N

Formula: C30H50O2

Molecular Weight: 442.717924

Exact Mass: 442.381081

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lima, M.D., Braga, P.A.D., Macedo, M.L., da Silva, M., Ferreira, A.G., Fernandes, J.B., Vieira, P.C. J Braz Chem Soc (2004) 15, 385-94

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) 33.1
2 (CH2) 25.2
3 (CH) 76.1
4 (C) 37.3
5 (CH) 48.9
6 (CH2) 18.3
7 (CH2) 32.6
8 (C) 40.1
9 (CH) 46.6
10 (C) 36.9
11 (CH2) 23.5
12 (CH) 122.4
13 (C) 143.5
14 (C) 43.9
15 (CH2) 35.6
16 (CH) 66.1
17 (C) 37.4
18 (CH) 49.1
19 (CH2) 46.6
20 (C) 30.9
21 (CH2) 34.2
22 (CH2) 30.6
23 (CH3) 28.3
24 (CH3) 22.3
25 (CH3) 15.3
26 (CH3) 16.9
27 (CH3) 27.3
28 (CH3) 21.5
29 (CH3) 33.3
30 (CH3) 23.9