cucurbitacin G 2-O-b -D-glucopyranoside

cucurbitacin G 2-O-b -D-glucopyranoside

Common Name: cucurbitacin G 2-O-b -D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H56O13/c1-31(2)16-9-10-21-33(5)13-18(38)28(36(8,47)23(40)12-22(39)32(3,4)46)34(33,6)14-24(41)35(21,7)17(16)11-19(29(31)45)48-30-27(44)26(43)25(42)20(15-37)49-30/h9,17-22,25-28,30,37-39,42-44,46-47H,10-15H2,1-8H3/t17-,18-,19+,20-,21+,22?,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1

InChIKey: InChIKey=LSHJIKPRGKPBEX-SDBQKLIOSA-N

Formula: C36H56O13

Molecular Weight: 696.823439

Exact Mass: 696.372092

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Chen, Z.T., Lee, S.W., Chen, C.M. Chem Pharm Bull (2006) 54, 1605-7

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) 35.2
2 (CH) 77.9
3 (C) 211.6
4 (C) 51.1
5 (C) 140.8
6 (CH) 120.4
7 (CH2) 24.2
8 (CH) 42.8
9 (C) 48.83
10 (CH) 34.2
11 (C) 212.8
12 (CH2) 49.1
13 (C) 51.7
14 (C) 48.79
15 (CH2) 46.1
16 (CH) 70.7
17 (CH) 57.4
18 (CH3) 20.2
19 (CH3) 19.9
20 (C) 80.4
21 (CH3) 25.1
22 (C) 215.9
23 (CH2) 41.3
24 (CH) 76
25 (C) 72
26 (CH3) 24.6
27 (CH3) 27.6
28 (CH3) 28.9
29 (CH3) 21.8
30 (CH3) 18.8
1' (CH) 104.2
2' (CH) 76
3' (CH) 78.5
4' (CH) 71.3
5' (CH) 78.8
6' (CH2) 62.6