20-hydroxy-11-oxomogroside IA1

20-hydroxy-11-oxomogroside IA1

Common Name: 20-hydroxy-11-oxomogroside IA1

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C36H60O10/c1-31(2)19-9-11-23-33(5)15-13-22(34(33,6)17-25(39)36(23,8)20(19)10-12-24(31)38)35(7,44)16-14-26(32(3,4)43)46-30-29(42)28(41)27(40)21(18-37)45-30/h9,20-24,26-30,37-38,40-44H,10-18H2,1-8H3/t20-,21-,22+,23+,24+,26-,27-,28+,29-,30+,33+,34-,35+,36+/m1/s1

InChIKey: InChIKey=LSSPAQVPQKSBJV-FYDVJXCPSA-N

Formula: C36H60O10

Molecular Weight: 652.856987

Exact Mass: 652.418648

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Li, D., Ikeda, T., Matsuoka, N., Nohara, T., Zhang, H., Sakamoto, T., Nonaka, G. Chem Pharm Bull (2006) 54, 1425-8

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) 22.4
2 (CH2) 29.8
3 (CH) 75.6
4 (C) 41.9
5 (C) 141.4
6 (CH) 119.1
7 (CH2) 24.2
8 (CH) 43.5
9 (C) 49
10 (CH) 36
11 (C) 214.2
12 (CH2) 49.4
13 (C) 49.3
14 (C) 50.4
15 (CH2) 34.2
16 (CH2) 21.2
17 (CH) 52.7
18 (CH3) 19.2
19 (CH3) 20.2
20 (C) 74.4
21 (CH3) 26.3
22 (CH2) 41.4
23 (CH2) 27.2
24 (CH) 91.1
25 (C) 72.2
26 (CH3) 25.4
27 (CH3) 27
28 (CH3) 28
29 (CH3) 26.1
30 (CH3) 18.5
1' (CH) 105.8
2' (CH) 75.4
3' (CH) 78.6
4' (CH) 71.8
5' (CH) 78.4
6' (CH2) 62.7