Spektraris NMR
Chlorahololide E
Common Name: Chlorahololide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H32O9/c1-10-14-7-15(14)28(5)18-9-30(37)17-8-16(17)29(6)24(30)22(19-11(2)26(35)41-32(19,38)27(29)36)31(18)21(12(3)25(34)40-31)23(20(10)28)39-13(4)33/h14-18,20,23,37-38H,1,7-9H2,2-6H3/t14-,15-,16-,17+,18+,20-,23-,28-,29+,30+,31-,32+/m1/s1
InChIKey: InChIKey=AQQLLRBUYPUUAM-OXPAMQGXSA-N
Formula: C32H32O9
Molecular Weight: 560.592297
Exact Mass: 560.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, S.P., Gao, Z.B., Wu, Y., Hu, G.Y., Yue, J.M. Tetrahedron (2008) 64, 2027-34
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Lindenanes; 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) | 24.5 |
| 2 (CH2) | 9.6 |
| 3 (CH) | 30.2 |
| 4 (C) | 76.8 |
| 5 (C) | 162.5 |
| 6 (C) | 122.2 |
| 7 (C) | 150 |
| 8 (C) | 94.8 |
| 9 (C) | 197.9 |
| 10 (C) | 56.9 |
| 11 (C) | 126.6 |
| 12 (C) | 170.3 |
| 13 (CH3) | 10.7 |
| 14 (CH3) | 21.6 |
| 15 (CH2) | 39.8 |
| 1' (CH) | 24.9 |
| 2' (CH2) | 16.4 |
| 3' (CH) | 24.1 |
| 4' (C) | 148.3 |
| 5' (CH) | 57.2 |
| 6' (CH) | 64.8 |
| 7' (C) | 155.2 |
| 8' (C) | 84.8 |
| 9' (CH) | 50.2 |
| 10' (C) | 42.1 |
| 11' (C) | 133.7 |
| 12' (C) | 171.5 |
| 13' (CH3) | 10.1 |
| 14' (CH3) | 23.4 |
| 15' (CH2) | 108.6 |
| 6'a (C) | 168.9 |
| 6'b (CH3) | 20.5 |
