2-O-b-D-glucopyranosylcucurbitacin J

2-O-b-D-glucopyranosylcucurbitacin J

Common Name: 2-O-b-D-glucopyranosylcucurbitacin J

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H54O13/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/h9,11,17-18,20-22,25-28,30,37-39,42-44,46-47H,10,12-15H2,1-8H3/t17-,18-,20-,21+,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1

InChIKey: InChIKey=XPEAYHKXEWXAKV-JYUIKDNMSA-N

Formula: C36H54O13

Molecular Weight: 694.807557

Exact Mass: 694.356442

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Seger, C., Sturm, S., Mair, M.E., Ellmerer, E.P., Stuppner, H. Magn Reson Chem (2005) 43, 489-91

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 (CH) 123.7
2 (C) 147.2
3 (C) 199.8
4 (C) 50.1
5 (C) 137.5
6 (CH) 122.3
7 (CH2) 24.6
8 (CH) 43.1
9 (C) 50
10 (CH) 36.5
11 (C) 216.4
12 (CH2) 50.1
13 (C) 51.8
14 (C) 49.2
15 (CH2) 46.7
16 (CH) 71.8
17 (CH) 58.4
18 (CH3) 20.5
19 (CH3) 20.6
20 (C) 81
21 (CH3) 24.8
22 (C) 216.6
23 (CH2) 40.9
24 (CH) 75.8
25 (C) 73.1
26 (CH3) 26.5
27 (CH3) 24.4
28 (CH3) 28.3
29 (CH3) 20.8
30 (CH3) 18.7
1' (CH) 101.2
2' (CH) 74.3
3' (CH) 77.6
4' (CH) 70.7
5' (CH) 78.2
6' (CH2) 62