Spektraris NMR
Salaquinone A
Common Name: Salaquinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O5/c1-14-11-20-26(4,24(33)22(14)31)13-21(30)28(6)19-8-7-16-15(2)23(32)18(29)12-17(16)25(19,3)9-10-27(20,28)5/h7-8,12,14,20,24,32-33H,9-11,13H2,1-6H3/t14-,20-,24-,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=HLWNXIBAWDHKMJ-WYVBECSISA-N
Formula: C28H34O5
Molecular Weight: 450.567615
Exact Mass: 450.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Kishi, A., Pongpiriyadacha, Y., Matsuda, H., Yoshikawa, M. J Nat Prod (2003) 66, 1191-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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 (CH) | 119.2 |
| 2 (C) | 178 |
| 3 (C) | 145.9 |
| 4 (C) | 117.5 |
| 5 (C) | 128 |
| 6 (CH) | 132.9 |
| 7 (CH) | 124.3 |
| 8 (C) | 157.1 |
| 9 (C) | 42.5 |
| 10 (C) | 163.1 |
| 11 (CH2) | 31.7 |
| 12 (CH2) | 28.9 |
| 13 (C) | 43.8 |
| 14 (C) | 58 |
| 15 (C) | 209.3 |
| 16 (CH2) | 47.8 |
| 17 (C) | 47.8 |
| 18 (CH) | 43.9 |
| 19 (CH2) | 30.2 |
| 20 (CH) | 39.9 |
| 21 (C) | 212 |
| 22 (CH) | 78 |
| 23 (CH3) | 10.3 |
| 24 (CH3) | 39.4 |
| 26 (CH3) | 21.5 |
| 27 (CH3) | 24.4 |
| 28 (CH3) | 24.8 |
| 30 (CH3) | 15 |
