b-D-Glucopyranosyl-3-oxolup-20(29)-en-28-oat

b-D-Glucopyranosyl-3-oxolup-20(29)-en-28-oat

Common Name: b-D-Glucopyranosyl-3-oxolup-20(29)-en-28-oat

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C44H64O12/c1-23(2)28-14-19-44(39(50)56-38-37(54-27(6)48)36(53-26(5)47)35(52-25(4)46)30(55-38)22-51-24(3)45)21-20-42(10)29(34(28)44)12-13-32-41(9)17-16-33(49)40(7,8)31(41)15-18-43(32,42)11/h28-32,34-38H,1,12-22H2,2-11H3/t28-,29+,30+,31-,32+,34+,35+,36-,37+,38-,41-,42+,43+,44-/m0/s1

InChIKey: InChIKey=VDWRGNSXGJNOAB-HHSXUFKHSA-N

Formula: C44H64O12

Molecular Weight: 784.973447

Exact Mass: 784.439778

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) 39.6
2 (CH2) 34.2
3 (C) 218
4 (C) 47.4
5 (CH) 55
6 (CH2) 19.7
7 (CH2) 33.8
8 (C) 39.6
9 (CH) 49.9
10 (C) 37
11 (CH2) 21.4
12 (CH2) 25.6
13 (CH) 38.3
14 (C) 42.6
15 (CH2) 30.6
16 (CH2) 31.7
17 (C) 56.8
18 (CH) 46.8
19 (CH) 49.9
20 (C) 150
21 (CH2) 29.8
22 (CH2) 36.5
23 (CH3) 26.6
24 (CH3) 21.1
25 (CH3) 16
26 (CH3) 16
27 (CH3) 14.7
28 (C) 174.3
29 (CH2) 109.8
30 (CH3) 19.7
1' (CH) 91.2
2' (CH) 70
3' (CH) 72.9
4' (CH) 68.3
5' (CH) 73.2
6' (CH2) 61.8
2'a (C) 170.6
2'b (CH3) 20.7
3'a (C) 170.2
3'b (CH3) 20.6
4'a (C) 169.4
4'b (CH3) 20.6
6'a (C) 168.9
6'b (CH3) 20.6