Mananthoside E

Mananthoside E

Common Name: Mananthoside E

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C40H46O22/c1-14(42)58-35-25(12-55-38-31(47)28(44)19(43)11-54-38)60-40(33(49)36(35)62-39-32(48)30(46)29(45)24(9-41)59-39)61-34-17-8-22(52-3)21(51-2)7-16(17)26(27-18(34)10-53-37(27)50)15-4-5-20-23(6-15)57-13-56-20/h4-8,19,24-25,28-33,35-36,38-41,43-49H,9-13H2,1-3H3/t19-,24+,25+,28-,29+,30-,31+,32+,33+,35-,36+,38+,39-,40+/m0/s1

InChIKey: InChIKey=GSFVDWREPGMOIS-SVPWGFFMSA-N

Formula: C40H46O22

Molecular Weight: 878.781619

Exact Mass: 878.248073

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Tian, J.M., Hao, X.J., He, H.P. Helv Chim Acta (2006) 89, 291-8

Species:

Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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 (C) 131.8
2 (C) 128.9
3 (CH) 107
4 (C) 151.7
5 (C) 153.3
6 (CH) 102.9
7 (C) 146.2
8 (C) 132.3
9 (CH2) 69.5
1' (C) 130
2' (CH) 112
3' (C) 148.9
4' (C) 148.9
5' (CH) 109
6' (CH) 124.9
7' (C) 137.6
8' (C) 120.2
9' (C) 172.4
1'' (CH) 106.5
2'' (CH) 72
3'' (CH) 82.4
4'' (CH) 72.3
5'' (CH) 74.6
6'' (CH2) 69.5
1''' (CH) 105.8
2''' (CH) 75.5
3''' (CH) 77.8
4''' (CH) 71.5
5''' (CH) 78.1
6''' (CH2) 62.9
1'''' (CH) 104.9
2'''' (CH) 72.1
3'''' (CH) 74.1
4'''' (CH) 69.3
5'''' (CH2) 66.5
4a (CH3) 56.7
5a (CH3) 56
3'a (CH2) 102.6
4''a (C) 173
4''b (CH3) 21