11-Dehydroxymogroside III

11-Dehydroxymogroside III

Common Name: 11-Dehydroxymogroside III

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C48H82O18/c1-22(9-13-31(45(4,5)60)66-43-40(59)37(56)34(53)28(64-43)21-61-41-38(57)35(54)32(51)26(19-49)62-41)23-15-16-48(8)29-12-10-24-25(46(29,6)17-18-47(23,48)7)11-14-30(44(24,2)3)65-42-39(58)36(55)33(52)27(20-50)63-42/h10,22-23,25-43,49-60H,9,11-21H2,1-8H3/t22-,23-,25-,26-,27-,28-,29-,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,46+,47-,48+/m1/s1

InChIKey: InChIKey=ACQZDPFYFKJNJQ-PCIVXFBTSA-N

Formula: C48H82O18

Molecular Weight: 947.155754

Exact Mass: 946.550116

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Li, D., Ikeda, T., Nohara, T., Liu, J., Wen, Y., Sakamoto, T., Nonaka, G. Chem Pharm Bull (2007) 55, 1082-6

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) 22.7
2 (CH2) 29.7
3 (CH) 87.7
4 (C) 41.8
5 (C) 141.3
6 (CH) 118.8
7 (CH2) 24.6
8 (CH) 43.9
9 (C) 34.7
10 (CH) 38.6
11 (CH2) 32.6
12 (CH2) 30.8
13 (C) 46.5
14 (C) 49.5
15 (CH2) 35.1
16 (CH2) 28.4
17 (CH) 51.2
18 (CH3) 15.7
19 (CH3) 28.1
20 (CH) 36.2
21 (CH3) 18.9
22 (CH2) 33.2
23 (CH2) 29
24 (CH) 92.7
25 (C) 72.7
26 (CH3) 24.2
27 (CH3) 27
28 (CH3) 28.2
29 (CH3) 26
30 (CH3) 18.1
1' (CH) 106.3
2' (CH) 75.1
3' (CH) 78
4' (CH) 72.1
5' (CH) 76.4
6' (CH2) 70.4
1'' (CH) 107.3
2'' (CH) 75.5
3'' (CH) 78.5
4'' (CH) 71.5
5'' (CH) 78.1
6'' (CH2) 63.2
1''' (CH) 104.7
2''' (CH) 75.5
3''' (CH) 78.7
4''' (CH) 71.9
5''' (CH) 78.6
6''' (CH2) 62.6