Spektraris NMR
Chlorahololide D
Common Name: Chlorahololide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H44O11/c1-8-15(2)32(42)48-14-37(45)24-11-23(24)35(5)25(37)12-22-20(13-47-17(4)39)34(44)49-38(22)26(35)10-19-18-9-21(18)36(6)28(19)29(38)27(30(40)31(36)41)16(3)33(43)46-7/h8,18,21,23-26,29,31,41,45H,9-14H2,1-7H3/b15-8+,27-16-/t18-,21-,23-,24+,25-,26+,29+,31+,35+,36+,37+,38+/m1/s1
InChIKey: InChIKey=WZKZSZYDBUUHLB-IBBKUXAASA-N
Formula: C38H44O11
Molecular Weight: 676.750811
Exact Mass: 676.288362
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) | 25.7 |
| 2 (CH2) | 15.9 |
| 3 (CH) | 24.7 |
| 4 (C) | 142.3 |
| 5 (C) | 131.7 |
| 6 (CH) | 40.8 |
| 7 (C) | 147.6 |
| 8 (C) | 200.4 |
| 9 (CH) | 80.1 |
| 10 (C) | 51 |
| 11 (C) | 131.4 |
| 12 (C) | 170.4 |
| 13 (CH3) | 20.3 |
| 14 (CH3) | 15.2 |
| 15 (CH2) | 25.3 |
| 1' (CH) | 25.2 |
| 2' (CH2) | 11.9 |
| 3' (CH) | 28.2 |
| 4' (C) | 77.4 |
| 5' (CH) | 60.4 |
| 6' (CH2) | 22.6 |
| 7' (C) | 172.1 |
| 8' (C) | 93.2 |
| 9' (CH) | 55.6 |
| 10' (C) | 44.6 |
| 11' (C) | 123.6 |
| 12' (C) | 171.3 |
| 13' (CH2) | 55 |
| 14' (CH3) | 26.3 |
| 15' (CH2) | 70.7 |
| 1'' (C) | 168.2 |
| 2'' (C) | 127.9 |
| 3'' (CH) | 138.8 |
| 4'' (CH3) | 14.5 |
| 5'' (CH3) | 12.1 |
| 8'' (CH3) | 20.4 |
| 9'' (C) | 170.3 |
| 12a (CH3) | 52.5 |
