22-Epi-maytenfolic acid

22-Epi-maytenfolic acid

Common Name: 22-Epi-maytenfolic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O4/c1-25(2)20-10-13-30(7)21(28(20,5)12-11-22(25)31)9-8-18-19-16-26(3,24(33)34)17-23(32)27(19,4)14-15-29(18,30)6/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20-,21+,22-,23+,26-,27+,28-,29+,30+/m0/s1

InChIKey: InChIKey=JTBGJQZJEYVBJZ-FVRJYRSZSA-N

Formula: C30H48O4

Molecular Weight: 472.700853

Exact Mass: 472.35526

NMR Solvent: C+P

MHz:

Calibration:

NMR references: 13C - Silva, G.D.F., Duarte, L.P., Filho, S.A.V., Doriguetto, A.C., Mascarenhas, Y.P., Ellena, J., Castellano, E.E., Cota, A.B. Magn Reson Chem (2002) 40, 366-70

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) 38.78
2 (CH2) 27.33
3 (CH) 78.81
4 (C) 38.87
5 (CH) 55.3
6 (CH2) 18.43
7 (CH2) 33
8 (C) 39.71
9 (CH) 47.72
10 (C) 37.03
11 (CH2) 23.57
12 (CH) 123.16
13 (C) 143.28
14 (C) 42.21
15 (CH2) 25.78
16 (CH2) 28.53
17 (C) 37.41
18 (CH) 44.23
19 (CH2) 40.68
20 (C) 41.96
21 (CH2) 36.88
22 (CH) 75.89
23 (CH3) 28.19
24 (CH3) 15.71
25 (CH3) 15.62
26 (CH3) 17.02
27 (CH3) 25.23
28 (CH3) 19.87
29 (C) 181.51
30 (CH3) 24.31