Spektraris NMR
Aquatidial
Common Name: Aquatidial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H28O8/c1-11(2)13-7-17(31)15(9-29)20-19(13)23(33)26(5)25(20)36-28(35)22-16(10-30)18(32)8-14(12(3)4)21(22)24(34)27(26,28)6/h7-12,25,31-32,35H,1-6H3/t25-,26-,27-,28-/m0/s1
InChIKey: InChIKey=CNEDYYGQQWMNKU-LJWNLINESA-N
Formula: C28H28O8
Molecular Weight: 492.518186
Exact Mass: 492.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Paula, V.F., Rocha, M.E., Barbosa, L., Howarth, O.W. J Braz Chem Soc (2006) 17, 1443-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Miscellanea; 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) | 154.9 |
| 3 (CH) | 85.2 |
| 4 (C) | 64 |
| 5 (C) | 199.2 |
| 6 (C) | 125.5 |
| 7 (C) | 160.7 |
| 8 (CH) | 117.6 |
| 9 (C) | 168 |
| 10 (C) | 114.5 |
| 11 (CH) | 28.9 |
| 12 (CH3) | 23.6 |
| 13 (CH3) | 23.2 |
| 14 (CH3) | 17.9 |
| 15 (CH) | 193.7 |
| 1' (C) | 155.5 |
| 3' (C) | 112.8 |
| 4' (C) | 61.4 |
| 5' (C) | 199 |
| 6' (C) | 124.5 |
| 7' (C) | 159.9 |
| 8' (CH) | 118.1 |
| 9' (C) | 168.8 |
| 10' (C) | 113.7 |
| 11' (CH) | 29 |
| 12' (CH3) | 22.3 |
| 13' (CH3) | 21.9 |
| 14' (CH3) | 15 |
| 15' (CH) | 195.5 |
