Spektraris NMR
Conicaol B
Common Name: Conicaol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O7/c1-25-16-7-4-12(9-18(16)27-3)8-14-11-28-21(24)19(14)20(23)13-5-6-15(22)17(10-13)26-2/h4-7,9-10,14,19,22H,8,11H2,1-3H3/t14-,19-/m0/s1
InChIKey: InChIKey=RKQZQCFXPCRETA-LIRRHRJNSA-N
Formula: C21H22O7
Molecular Weight: 386.395985
Exact Mass: 386.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fan, C.Q., Zhu, X.Z., Zhan, Z.J., Ji, X.Q., Li, H., Yue, J.M. Planta Med (2006) 72, 590-5
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutyrolactones; 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) | 129.93 |
| 2 (CH) | 111.92 |
| 3 (C) | 149.19 |
| 4 (C) | 148.06 |
| 5 (CH) | 111.35 |
| 6 (CH) | 121.09 |
| 7 (CH2) | 37.97 |
| 8 (CH) | 41.53 |
| 9 (CH2) | 71.93 |
| 1' (C) | 128.45 |
| 2' (CH) | 110.57 |
| 3' (C) | 146.73 |
| 4' (C) | 151.34 |
| 5' (CH) | 113.95 |
| 6' (CH) | 125.11 |
| 7' (C) | 191.48 |
| 8' (CH) | 53.51 |
| 9' (C) | 173.03 |
| 3a (CH3) | 56.1 |
| 4a (CH3) | 55.82 |
| 3'a (CH3) | 55.91 |
