Spektraris NMR
Phyllanthuspermin B
Common Name: Phyllanthuspermin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H26O12/c1-12(29)39-21-10-36-28(25(31)24(21)30)40-26-15-8-19(34-3)18(33-2)7-14(15)22(23-16(26)9-35-27(23)32)13-4-5-17-20(6-13)38-11-37-17/h4-8,21,24-25,28,30-31H,9-11H2,1-3H3/t21-,24-,25+,28-/m0/s1
InChIKey: InChIKey=PDCZTHZYQGOSBV-WVZMWUMTSA-N
Formula: C28H26O12
Molecular Weight: 554.499924
Exact Mass: 554.142426
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wu, S.J., Wu, T.S. Chem Pharm Bull (2006) 54, 1223-5
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) | 126.7 |
| 2 (C) | 129.9 |
| 3 (CH) | 105.6 |
| 4 (C) | 150.1 |
| 5 (C) | 151.6 |
| 6 (CH) | 101.9 |
| 7 (C) | 144.8 |
| 8 (C) | 118.9 |
| 9 (CH2) | 67.2 |
| 1' (C) | 128.3 |
| 2' (CH) | 111 |
| 3' (C) | 147.1 |
| 4' (C) | 147.1 |
| 5' (CH) | 108.1 |
| 6' (CH) | 123.7 |
| 7' (C) | 135 |
| 8' (C) | 129.4 |
| 9' (C) | 169.2 |
| 1'' (CH) | 105.2 |
| 2'' (CH) | 71.3 |
| 3'' (CH) | 70.5 |
| 4'' (CH) | 70.8 |
| 5'' (CH2) | 63.8 |
| 4a (CH3) | 55.4 |
| 5a (CH3) | 56 |
| 3'a (CH2) | 101.3 |
| 4''a (C) | 170.2 |
| 4''b (CH3) | 21.2 |
