3-O-(Methyl-B-D-glucuronopyranosiduronoate)-28-O-B-D-glucopyranosyl oleanolate

3-O-(Methyl-B-D-glucuronopyranosiduronoate)-28-O-B-D-glucopyranosyl oleanolate

Common Name: 3-O-(Methyl-B-D-glucuronopyranosiduronoate)-28-O-B-D-glucopyranosyl oleanolate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C43H68O14/c1-38(2)15-17-43(37(52)57-35-31(49)28(46)27(45)23(20-44)54-35)18-16-41(6)21(22(43)19-38)9-10-25-40(5)13-12-26(39(3,4)24(40)11-14-42(25,41)7)55-36-32(50)29(47)30(48)33(56-36)34(51)53-8/h9,22-33,35-36,44-50H,10-20H2,1-8H3/t22-,23-,24-,25+,26-,27-,28+,29-,30-,31-,32+,33-,35+,36+,40-,41+,42+,43-/m0/s1

InChIKey: InChIKey=XPORLJWHBRUXGD-KJWFGEHASA-N

Formula: C43H68O14

Molecular Weight: 808.993284

Exact Mass: 808.460907

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Marquina S., Maldonado N., Garduno-Ramirez M.L., Aranda E., Villarreal M.L., Navarro V., Bye R., Delgado G., Alvarez L. Phytochemistry (2001) 56, 93-7

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) 38.6
2 (CH2) 27.1
3 (CH) 88.8
4 (C) 39.6
5 (CH) 54.6
6 (CH2) 17.3
7 (CH2) 32.9
8 (C) 39.6
9 (CH) 46.7
10 (C) 35.8
11 (CH2) 24.9
12 (CH) 121.5
13 (C) 142.7
14 (C) 39.1
15 (CH2) 29.8
16 (CH2) 22.5
17 (C) 45.7
18 (CH) 40.8
19 (CH2) 45.7
20 (C) 31.1
21 (CH2) 32.9
22 (CH2) 32.2
23 (CH3) 27.1
24 (CH3) 14.6
25 (CH3) 15.8
26 (CH3) 16.1
27 (CH3) 26.6
28 (C) 175.4
29 (CH3) 32.2
30 (CH3) 24.9
1' (CH) 104.8
2' (CH) 73
3' (CH) 71.8
4' (CH) 70.8
5' (CH) 76.3
6' (C) 168.9
1'' (CH) 93.3
2'' (CH) 74.4
3'' (CH) 76.3
4'' (CH) 69.4
5'' (CH) 75.9
6'' (CH2) 62.9
6'a (CH3) 51.41