2beta-Hydroxy-3beta-[[3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid

2beta-Hydroxy-3beta-[[3-O-beta-D-galactopyranosyl-beta-D-glucopyranosyl]oxy]olean-12-en-28-oic acid

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)

Carbon NMR Peaks

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