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)
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 |