3b-[(a-L-arabinopyranosyl)oxy]-23-hydroxyurs-12,19(29)-dien-28-oic acid 28-b-D-glucopyranosyl ester

3b-[(a-L-arabinopyranosyl)oxy]-23-hydroxyurs-12,19(29)-dien-28-oic acid 28-b-D-glucopyranosyl ester

Common Name: 3b-[(a-L-arabinopyranosyl)oxy]-23-hydroxyurs-12,19(29)-dien-28-oic acid 28-b-D-glucopyranosyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C41H64O13/c1-20-9-14-41(36(50)54-35-33(49)31(47)30(46)24(17-42)52-35)16-15-39(5)22(28(41)21(20)2)7-8-26-37(3)12-11-27(53-34-32(48)29(45)23(44)18-51-34)38(4,19-43)25(37)10-13-40(26,39)6/h7,20,23-35,42-49H,2,8-19H2,1,3-6H3/t20-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33-,34+,35+,37+,38+,39-,40-,41+/m1/s1

InChIKey: InChIKey=LJCUOMZSVKPSBW-VNSUFAJGSA-N

Formula: C41H64O13

Molecular Weight: 764.940644

Exact Mass: 764.434692

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 : Ursanes; 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) 38.9
2 (CH2) 26.1
3 (CH) 81.9
4 (C) 43.5
5 (CH) 47.7
6 (CH2) 18.2
7 (CH2) 33.1
8 (C) 39.9
9 (CH) 48.1
10 (C) 37
11 (CH2) 23.9
12 (CH) 128.6
13 (C) 137.5
14 (C) 42.8
15 (CH2) 29.1
16 (CH2) 25.8
17 (C) 49.8
18 (CH) 52.2
19 (C) 153.4
20 (CH) 37.5
21 (CH2) 30.6
22 (CH2) 37.1
23 (CH2) 64.5
24 (CH3) 13.6
25 (CH3) 16.3
26 (CH3) 17.4
27 (CH3) 26.2
28 (C) 176.1
29 (CH2) 110.4
30 (CH3) 19.4
1' (CH) 106.6
2' (CH) 73.1
3' (CH) 74.7
4' (CH) 69.6
5' (CH2) 67
1'' (CH) 95.9
2'' (CH) 74.1
3'' (CH) 78.9
4'' (CH) 71.1
5'' (CH) 79.3
6'' (CH2) 62.3