3b-[(a-L-arabinopyranosyl)oxy]-19a-hydroxyolean-12-en-28-oic acid 28-b-D-glucopyranosyl ester

3b-[(a-L-arabinopyranosyl)oxy]-19a-hydroxyolean-12-en-28-oic acid 28-b-D-glucopyranosyl ester

Common Name: 3b-[(a-L-arabinopyranosyl)oxy]-19a-hydroxyolean-12-en-28-oic acid 28-b-D-glucopyranosyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C41H66O13/c1-36(2)14-16-41(35(50)54-34-31(48)29(46)28(45)22(18-42)52-34)17-15-39(6)20(26(41)32(36)49)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)53-33-30(47)27(44)21(43)19-51-33/h8,21-34,42-49H,9-19H2,1-7H3/t21-,22-,23+,24-,25+,26-,27-,28-,29+,30+,31-,32+,33+,34+,38+,39-,40-,41+/m1/s1

InChIKey: InChIKey=SLQHZBXUSQZYTB-VYQCZAFRSA-N

Formula: C41H66O13

Molecular Weight: 766.956526

Exact Mass: 766.450342

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Mimaki, Y., Fukushima, M., Yokosuka, A., Sashida, Y., Furuya, S., Sakagami, H. Phytochemistry (2001) 57, 773-9

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) 38.7
2 (CH2) 26.6
3 (CH) 88.7
4 (C) 39.6
5 (CH) 56
6 (CH2) 18.7
7 (CH2) 33.2
8 (C) 40.2
9 (CH) 48.3
10 (C) 37.2
11 (CH2) 24.1
12 (CH) 123.5
13 (C) 144.3
14 (C) 42.1
15 (CH2) 29
16 (CH2) 28
17 (C) 46.5
18 (CH) 44.6
19 (CH) 81
20 (C) 35.5
21 (CH2) 28.9
22 (CH2) 33
23 (CH3) 28.2
24 (CH3) 16.8
25 (CH3) 15.5
26 (CH3) 17.6
27 (CH3) 24.9
28 (C) 177.2
29 (CH3) 28.7
30 (CH3) 24.7
1' (CH) 107.6
2' (CH) 72.9
3' (CH) 74.6
4' (CH) 69.5
5' (CH2) 66.8
1'' (CH) 95.9
2'' (CH) 74.1
3'' (CH) 78.9
4'' (CH) 71.1
5'' (CH) 79.3
6'' (CH2) 62.2