Common Name: (3β,18α)-23-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3-hydroxyolean-12-en-28-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H54O7/c1-34(2)17-19-39(33(44)45)20-18-37(5)25(26(39)22-34)9-11-30-35(3)15-14-31(42)36(4,29(35)13-16-38(30,37)6)23-46-32(43)12-8-24-7-10-27(40)28(41)21-24/h7-10,12,21,26,29-31,40-42H,11,13-20,22-23H2,1-6H3,(H,44,45)/b12-8+/t26-,29-,30-,31+,35+,36+,37-,38-,39+/m1/s1
InChIKey: InChIKey=CGUVDUJUXIATLL-QPLVNVOKSA-N
Formula: C39H54O7
Molecular Weight: 634.843335
Exact Mass: 634.386954
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Pan, H.F., Lundgren, L.N., Andersson, R. Phytochemistry (1994) 37, 795-9
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)
Position | PPM |
---|---|
1 (CH2) | 39.2 |
2 (CH2) | 27.4 |
3 (CH) | 71.8 |
4 (C) | 42.8 |
5 (CH) | 48.6 |
6 (CH2) | 18.9 |
7 (CH2) | 33.3 |
8 (C) | 40.2 |
9 (CH) | 48.8 |
10 (C) | 37.6 |
11 (CH2) | 24.1 |
12 (CH) | 122.8 |
13 (C) | 144.9 |
14 (C) | 42.5 |
15 (CH2) | 28.4 |
16 (CH2) | 23.7 |
17 (C) | 46.8 |
18 (CH) | 42.2 |
19 (CH2) | 46.7 |
20 (C) | 31.3 |
21 (CH2) | 34.4 |
22 (CH2) | 33.3 |
23 (CH2) | 66.2 |
24 (CH3) | 12.7 |
25 (CH3) | 16.2 |
26 (CH3) | 17.6 |
27 (CH3) | 26.2 |
28 (C) | 178.8 |
29 (CH3) | 33.3 |
30 (CH3) | 23.9 |
23a (C) | 167.2 |
23b (CH) | 115.7 |
23c (CH) | 145.5 |
23d (C) | 127.5 |
23e (CH) | 115.1 |
23f (C) | 146.3 |
23g (C) | 148.7 |
23h (CH) | 116.4 |
23i (CH) | 122.4 |