2,3,4,6-Tetra-O-acetyl- b-D-glucopyranosyl-3 b-hydroxylupan-28-oate

2,3,4,6-Tetra-O-acetyl- b-D-glucopyranosyl-3 b-hydroxylupan-28-oate

Common Name: 2,3,4,6-Tetra-O-acetyl- b-D-glucopyranosyl-3 b-hydroxylupan-28-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C44H68O12/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/h23,28-38,49H,12-22H2,1-11H3/t28-,29+,30+,31-,32+,33-,34+,35+,36-,37+,38-,41-,42+,43+,44-/m0/s1

InChIKey: InChIKey=RZGRRHUJMOXSCO-LKOYHKRESA-N

Formula: C44H68O12

Molecular Weight: 789.00521

Exact Mass: 788.471078

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) 39.1
2 (CH2) 27.7
3 (CH) 79.1
4 (C) 39.1
5 (CH) 55.7
6 (CH2) 18.6
7 (CH2) 34.9
8 (C) 41.1
9 (CH) 50.7
10 (C) 37.5
11 (CH2) 21.2
12 (CH2) 27.2
13 (CH) 38.5
14 (C) 42.9
15 (CH2) 30
16 (CH2) 32
17 (C) 57.5
18 (CH) 49
19 (CH) 44.4
20 (CH) 30
21 (CH2) 23
22 (CH2) 37.2
23 (CH3) 28.2
24 (CH3) 15.5
25 (CH3) 16.3
26 (CH3) 16.3
27 (CH3) 14.9
28 (C) 174.4
29 (CH3) 22.8
30 (CH3) 14.9
1' (CH) 91.3
2' (CH) 73.3
3' (CH) 72.8
4' (CH) 68.6
5' (CH) 70.3
6' (CH2) 61.9
2'a (C) 170.3
2'b (CH3) 20.6
3'a (C) 169.9
3'b (CH3) 20.6
4'a (C) 169.2
4'b (CH3) 20.6
6'a (C) 168.8
6'b (CH3) 20.6