3 b-( b-D-Glucopyranosyloxy)-lupan-28-oic Acid

3 b-( b-D-Glucopyranosyloxy)-lupan-28-oic Acid

Common Name: 3 b-( b-D-Glucopyranosyloxy)-lupan-28-oic Acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H60O8/c1-19(2)20-10-15-36(31(41)42)17-16-34(6)21(26(20)36)8-9-24-33(5)13-12-25(32(3,4)23(33)11-14-35(24,34)7)44-30-29(40)28(39)27(38)22(18-37)43-30/h19-30,37-40H,8-18H2,1-7H3,(H,41,42)/t20-,21+,22+,23-,24+,25-,26+,27+,28-,29+,30-,33-,34+,35+,36-/m0/s1

InChIKey: InChIKey=HDHVMYVBGHZDRG-XGUXKNSRSA-N

Formula: C36H60O8

Molecular Weight: 620.858177

Exact Mass: 620.428819

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Samoshina, N.F., Denisenko, M.V., Denisenko, V.A., Uvarova, N.I. Chem Nat Compd (2003) 39, 575-82

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) 39.2
2 (CH2) 26.3
3 (CH) 88.7
4 (C) 38.8
5 (CH) 55.7
6 (CH2) 18.2
7 (CH2) 34.6
8 (C) 40.9
9 (CH) 50.4
10 (C) 37.5
11 (CH2) 21
12 (CH2) 27.1
13 (CH) 38.2
14 (C) 42.7
15 (CH2) 29.7
16 (CH2) 32.4
17 (C) 56.6
18 (CH) 49
19 (CH) 44.5
20 (CH) 29.8
21 (CH2) 23
22 (CH2) 36.9
23 (CH3) 27.8
24 (CH3) 16.4
25 (CH3) 16
26 (CH3) 15.9
27 (CH3) 14.5
28 (C) 178.1
29 (CH3) 23
30 (CH3) 14.4
1' (CH) 105.8
2' (CH) 71.3
3' (CH) 75
4' (CH) 62.4
5' (CH) 77
6' (CH2) 62.4