Spektraris NMR
Sumadains A
Common Name: Sumadains A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H34O4/c1-19(2)9-8-15-30(4)22-14-16-29(3)18-21(22)26-25(33-29)17-24(32)27(28(26)34-30)23(31)13-12-20-10-6-5-7-11-20/h5-7,9-13,17,21-22,32H,8,14-16,18H2,1-4H3/b13-12+/t21-,22+,29-,30-/m1/s1
InChIKey: InChIKey=KBIUSJRYMLTVOW-ZFFBENFFSA-N
Formula: C30H34O4
Molecular Weight: 458.589682
Exact Mass: 458.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hua, S.Z., Wang, X.B., Luo, J.G., Wang, J.S., Kong, L.Y. Tetrahedron Lett (2008) 49, 5658-61
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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) | 135.7 |
| 2 (CH) | 128.2 |
| 3 (CH) | 128.7 |
| 4 (CH) | 129.8 |
| 5 (CH) | 128.7 |
| 6 (CH) | 128.2 |
| α (CH) | 142.1 |
| β (CH) | 127.1 |
| 1' (C) | 108.2 |
| 2' (C) | 158.6 |
| 3' (C) | 108.6 |
| 4' (C) | 162.8 |
| 5' (CH) | 97.5 |
| 6' (C) | 165.5 |
| β' (C) | 191.6 |
| 1'' (CH) | 27.5 |
| 2'' (CH2) | 34.6 |
| 3'' (C) | 76 |
| 4'' (CH2) | 37.5 |
| 5'' (CH2) | 21.7 |
| 6'' (CH) | 45.5 |
| 7'' (C) | 89.1 |
| 8'' (CH2) | 42.4 |
| 9'' (CH2) | 22.9 |
| 10'' (CH) | 123.5 |
| 11'' (C) | 132.1 |
| 12'' (CH3) | 17.6 |
| 13'' (CH3) | 25.5 |
| 14'' (CH3) | 21 |
| 15'' (CH3) | 28.5 |
