Alnngisrsyuin A

Alnngisrsyuin A

Common Name: Alnngisrsyuin A

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C37H46O16/c1-46-24-12-19(7-8-23(24)41)30(42)28(15-39)51-36-26(48-3)13-20(14-27(36)49-4)34-22(17-50-37-33(45)32(44)31(43)29(16-40)52-37)21-10-18(6-5-9-38)11-25(47-2)35(21)53-34/h5-8,10-14,22,28-34,37-45H,9,15-17H2,1-4H3/b6-5+/t22-,28-,29+,30+,31+,32-,33+,34+,37+/m0/s1

InChIKey: InChIKey=WMRGZRXKBZGTEN-CRYXERDDSA-N

Formula: C37H46O16

Molecular Weight: 746.752982

Exact Mass: 746.278585

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Kijima, K., Otsuka, H., Ide, T., Ogimi, C., Hirata, E., Takushi, A., Takeda, Y. Phytochemistry (1998) 48, 669-76

Species:

Notes: Family : Lignans, Type : Neolignans; 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) 132.9
2 (CH) 112.4
3 (C) 145.6
4 (C) 149.2
5 (C) 129.7
6 (CH) 116.8
7 (CH) 131.9
8 (CH) 127.9
9 (CH2) 63.9
1' (C) 136.4
2' (CH) 104.1
3' (C) 154.6
4' (C) 139.5
5' (C) 154.6
6' (CH) 104.1
7' (CH) 89.1
8' (CH) 53.3
9' (CH2) 72.5
1'' (C) 133.8
2'' (CH) 111.5
3'' (C) 148.7
4'' (C) 146.9
5'' (CH) 115.7
6'' (CH) 120.7
7'' (CH) 74.1
8'' (CH) 87.4
9'' (CH2) 61.7
1''' (CH) 104.6
2''' (CH) 75.3
3''' (CH) 78.4
4''' (CH) 71.7
5''' (CH) 78.1
6''' (CH2) 62.9
3a (CH3) 56.4
3'a (CH3) 56.8
5'a (CH3) 56.8
3''a (CH3) 56.9