Common Name: 2beta-Hydroxy-3beta-[[3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
Synonyms: 2beta-Hydroxy-3beta-[[3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid
CAS Registry Number:
InChI: InChI=1S/C42H68O14/c1-37(2)12-14-42(36(51)52)15-13-40(6)20(21(42)16-37)8-9-26-39(5)17-22(45)33(38(3,4)25(39)10-11-41(26,40)7)56-35-31(50)32(28(47)24(19-44)54-35)55-34-30(49)29(48)27(46)23(18-43)53-34/h8,21-35,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31+,32-,33-,34-,35-,39-,40+,41+,42-/m0/s1
InChIKey: InChIKey=SLCKUJDBBJMBJJ-YJGOTOOHSA-N
Formula: C42H68O14
Molecular Weight: 796.982548
Exact Mass: 796.460907
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Thiilborg, S.T., Christensen, S.B., Cornett, C., Olsen, C.E., Lemmich, E. Phytochemistry (1994) 36, 753-9
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) | 44 |
2 (CH) | 70.2 |
3 (CH) | 89.5 |
4 (C) | 38.9 |
5 (CH) | 56.1 |
6 (CH2) | 18.7 |
7 (CH2) | 33.3 |
8 (C) | 39.9 |
9 (CH) | 48.4 |
10 (C) | 37 |
11 (CH2) | 23.8 |
12 (CH) | 122.7 |
13 (C) | 144.8 |
14 (C) | 42.3 |
15 (CH2) | 28.2 |
16 (CH2) | 23.8 |
17 (C) | 46.7 |
18 (CH) | 42 |
19 (CH2) | 46.5 |
20 (C) | 31 |
21 (CH2) | 34.2 |
22 (CH2) | 33.3 |
23 (CH3) | 29.6 |
24 (CH3) | 17.5 |
25 (CH3) | 16.5 |
26 (CH3) | 18.3 |
27 (CH3) | 26.3 |
28 (C) | 180.2 |
29 (CH3) | 33.3 |
30 (CH3) | 23.9 |
1' (CH) | 106.5 |
2' (CH) | 74 |
3' (CH) | 88.7 |
4' (CH) | 69.8 |
5' (CH) | 78 |
6' (CH2) | 62.1 |
1'' (CH) | 106 |
2'' (CH) | 13 |
3'' (CH) | 15.2 |
4'' (CH) | 70.1 |
5'' (CH) | 77.4 |
6'' (CH2) | 62.4 |