Spektraris NMR
Chlorahololide C
Common Name: Chlorahololide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H36O9/c1-11-15-8-16(15)30(5)19-10-32(39)18-9-17(18)31(6)26(32)23(20(24(35)27(31)36)12(2)28(37)40-7)33(19)22(13(3)29(38)42-33)25(21(11)30)41-14(4)34/h15-19,21,25,27,36,39H,1,8-10H2,2-7H3/b20-12-/t15-,16-,17-,18+,19+,21-,25-,27+,30-,31+,32+,33-/m1/s1
InChIKey: InChIKey=FUWHPWXSVUDXDS-XMJAEXKHSA-N
Formula: C33H36O9
Molecular Weight: 576.634796
Exact Mass: 576.235933
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) | 26 |
| 2 (CH2) | 8.7 |
| 3 (CH) | 30.1 |
| 4 (C) | 78.2 |
| 5 (C) | 163.3 |
| 6 (C) | 124.8 |
| 7 (C) | 130 |
| 8 (C) | 199.5 |
| 9 (CH) | 77.9 |
| 10 (C) | 50.6 |
| 11 (C) | 140 |
| 12 (C) | 170.2 |
| 13 (CH3) | 19.9 |
| 14 (CH3) | 15.5 |
| 15 (CH2) | 41 |
| 1' (CH) | 25.4 |
| 2' (CH2) | 16.2 |
| 3' (CH) | 23.9 |
| 4' (C) | 148.6 |
| 5' (CH) | 58.5 |
| 6' (CH) | 64 |
| 7' (C) | 156.4 |
| 8' (C) | 86.3 |
| 9' (CH) | 50.8 |
| 10' (C) | 41.7 |
| 11' (C) | 133.3 |
| 12' (C) | 172.8 |
| 13' (CH3) | 9.5 |
| 14' (CH3) | 23.1 |
| 15' (CH2) | 108.4 |
| 12a (CH3) | 52.4 |
| 6'a (C) | 171 |
| 6'b (CH3) | 20.6 |
