Spektraris NMR
Procumbenoside C
Common Name: Procumbenoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H22O12/c27-6-18-21(28)22(29)23(30)26(37-18)38-24-12-5-17-16(35-9-36-17)4-11(12)19(20-13(24)7-32-25(20)31)10-1-2-14-15(3-10)34-8-33-14/h1-5,18,21-23,26-30H,6-9H2/t18-,21-,22+,23-,26+/m1/s1
InChIKey: InChIKey=PNIDOILZCGBLCS-BKBOFEOXSA-N
Formula: C26H22O12
Molecular Weight: 526.446689
Exact Mass: 526.111126
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Liu, G.R., Wu, J., Si, J.Y., Wang, J.M., Yang, M.H. Magn Reson Chem (2008) 46, 283-6
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) | 135.4 |
| 2 (C) | 131.7 |
| 3 (CH) | 102.9 |
| 4 (C) | 149.1 |
| 5 (C) | 147.4 |
| 6 (CH) | 99.4 |
| 7 (C) | 145.8 |
| 8 (C) | 130.1 |
| 9 (CH2) | 67.9 |
| 1' (C) | 128.8 |
| 2' (CH) | 111 |
| 3' (C) | 147.4 |
| 4' (C) | 150.2 |
| 5' (CH) | 108.4 |
| 6' (CH) | 123.9 |
| 7' (C) | 128.4 |
| 8' (C) | 104.7 |
| 9' (C) | 169.5 |
| 1'' (CH) | 104.6 |
| 2'' (CH) | 74.1 |
| 3'' (CH) | 77.6 |
| 4'' (CH) | 70.3 |
| 5'' (CH) | 76.5 |
| 6'' (CH2) | 61.5 |
| 4a (CH2) | 102.8 |
| 3'a (CH2) | 101.5 |
