Spektraris NMR
Lanicepside B
Common Name: Lanicepside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O12/c1-34-18-7-12(3-5-16(18)29)21(30)15-11-36-25(14(15)9-27)13-4-6-17(19(8-13)35-2)37-26-24(33)23(32)22(31)20(10-28)38-26/h3-8,14-15,20-33H,9-11H2,1-2H3/t14-,15+,20-,21-,22-,23+,24-,25+,26-/m1/s1
InChIKey: InChIKey=AWTYKUNFPBFFHC-XWOXDDIHSA-N
Formula: C26H34O12
Molecular Weight: 538.541978
Exact Mass: 538.205027
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhou, Z.W., Yin, S., Wang, X.N., Fan, C.Q., Li, H., Yue, J.M. Helv Chim Acta (2007) 90, 951-6
Species:
Notes: Family : Lignans, Type : Lignans, Group : 7-9-Monoepoxylignans; 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) | 138.3 |
| 2 (CH) | 111.9 |
| 3 (C) | 149.6 |
| 4 (C) | 148 |
| 5 (CH) | 116.5 |
| 6 (CH) | 121.3 |
| 7 (CH) | 78 |
| 8 (CH) | 53.2 |
| 9 (CH2) | 71.8 |
| 1' (C) | 136.6 |
| 2' (CH) | 112.4 |
| 3' (C) | 151.4 |
| 4' (C) | 148.1 |
| 5' (CH) | 118.3 |
| 6' (CH) | 120.9 |
| 7' (CH) | 86 |
| 8' (CH) | 56.5 |
| 9' (CH2) | 63.8 |
| 1'' (CH) | 103.3 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.7 |
| 6'' (CH2) | 63 |
| 3a (CH3) | 57.3 |
| 3'a (CH3) | 56.9 |
