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)
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 |