3β, 23-dihydroxy-lup-20(29)-en-28-oic acid 3-O-α-L-arabinopyranoside

3β, 23-dihydroxy-lup-20(29)-en-28-oic acid 3-O-α-L-arabinopyranoside

Common Name: 3β, 23-dihydroxy-lup-20(29)-en-28-oic acid 3-O-α-L-arabinopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C35H56O8/c1-19(2)20-9-14-35(30(40)41)16-15-33(5)21(26(20)35)7-8-24-31(3)12-11-25(43-29-28(39)27(38)22(37)17-42-29)32(4,18-36)23(31)10-13-34(24,33)6/h20-29,36-39H,1,7-18H2,2-6H3,(H,40,41)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29+,31-,32-,33+,34+,35-/m0/s1

InChIKey: InChIKey=LWHTTZZSZRSEDN-LDMOAZHFSA-N

Formula: C35H56O8

Molecular Weight: 604.815678

Exact Mass: 604.397519

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Ye, W.C., Ji, N.N., Zhao, S.X., Liu, J.H., Ye, T., McKervey, M.A., Stevenson, P. Phytochemistry (1996) 42, 799-802

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) 39.3
2 (CH2) 26.4
3 (CH) 82.3
4 (C) 42.3
5 (CH) 48.4
6 (CH2) 18.4
7 (CH2) 34.7
8 (C) 41.4
9 (CH) 51.2
10 (C) 37.4
11 (CH2) 21.6
12 (CH2) 26.4
13 (CH) 38.9
14 (C) 42.7
15 (CH2) 31.5
16 (CH2) 33.1
17 (C) 56.8
18 (CH) 48
19 (CH) 50.1
20 (C) 151.5
21 (CH2) 30.5
22 (CH2) 37.8
23 (CH2) 66.7
24 (CH3) 13.5
25 (CH3) 17.1
26 (CH3) 16.7
27 (CH3) 15.1
28 (C) 180
29 (CH2) 110
30 (CH3) 19.7
1' (CH) 106.4
2' (CH) 73.2
3' (CH) 74.7
4' (CH) 69.6
5' (CH2) 64.8