Pomolic acid 28-O-beta-D-glucopyranosyl ester

Pomolic acid 28-O-beta-D-glucopyranosyl ester

Common Name: Pomolic acid 28-O-beta-D-glucopyranosyl ester

Synonyms: Pomolic acid 28-O-beta-D-glucopyranosyl ester

CAS Registry Number:

InChI: InChI=1S/C36H58O9/c1-19-10-15-36(30(42)45-29-27(41)26(40)25(39)21(18-37)44-29)17-16-33(5)20(28(36)35(19,7)43)8-9-23-32(4)13-12-24(38)31(2,3)22(32)11-14-34(23,33)6/h8,19,21-29,37-41,43H,9-18H2,1-7H3/t19-,21-,22+,23-,24+,25-,26+,27-,28-,29+,32+,33-,34-,35-,36+/m1/s1

InChIKey: InChIKey=RRIMLWHUVCZACL-HPUCWRFUSA-N

Formula: C36H58O9

Molecular Weight: 634.8417

Exact Mass: 634.408083

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Zhang, F., Fu, T.J., Peng, S.L., Liu, Z.R., Ding, L.S. J Integr Plant Biol (2005) 47, 251

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) 39.1
2 (CH2) 28.1
3 (CH) 79.2
4 (C) 39.4
5 (CH) 55.9
6 (CH2) 19
7 (CH2) 33.6
8 (C) 40.5
9 (CH) 47.8
10 (C) 37.3
11 (CH2) 24.1
12 (CH) 128.4
13 (C) 139.3
14 (C) 42.1
15 (CH2) 29.2
16 (CH2) 26.1
17 (C) 48.6
18 (CH) 54.4
19 (C) 72.6
20 (CH) 42.1
21 (CH2) 26.7
22 (CH2) 37.7
23 (CH3) 28.8
24 (CH3) 17.4
25 (CH3) 15.7
26 (CH3) 16.7
27 (CH3) 24.5
28 (C) 176.9
29 (CH3) 27
30 (CH3) 16.5
1' (CH) 95.8
2' (CH) 74
3' (CH) 78.9
4' (CH) 71.2
5' (CH) 78.2
6' (CH2) 62.3