Spektraris NMR
Chlorahololide F
Common Name: Chlorahololide F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H40O12/c1-7-14(2)28(39)47-13-35(44)22-8-19(22)32(5)23(35)10-18-17(12-46-16(4)38)30(41)48-36(18)24(32)11-34(43)21-9-20(21)33(6)27(34)26(36)25-15(3)29(40)49-37(25,45)31(33)42/h7,19-24,43-45H,8-13H2,1-6H3/b14-7+/t19-,20-,21+,22+,23-,24+,32+,33+,34+,35+,36+,37+/m1/s1
InChIKey: InChIKey=ZKGRJVVHJQTIFW-VXHCJHSLSA-N
Formula: C37H40O12
Molecular Weight: 676.707717
Exact Mass: 676.251977
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) | 24.2 |
| 2 (CH2) | 9.3 |
| 3 (CH) | 30.1 |
| 4 (C) | 77 |
| 5 (C) | 161 |
| 6 (C) | 123 |
| 7 (C) | 149.2 |
| 8 (C) | 94.5 |
| 9 (C) | 199.6 |
| 10 (C) | 56.9 |
| 11 (C) | 127.5 |
| 12 (C) | 170.5 |
| 13 (CH3) | 11.2 |
| 14 (CH3) | 21 |
| 15 (CH2) | 40 |
| 1' (CH) | 26.6 |
| 2' (CH2) | 10.5 |
| 3' (CH) | 29.6 |
| 4' (C) | 77 |
| 5' (CH) | 53 |
| 6' (CH2) | 22.6 |
| 7' (C) | 170.5 |
| 8' (C) | 85.4 |
| 9' (CH) | 51.3 |
| 10' (C) | 44.5 |
| 11' (C) | 123.6 |
| 12' (C) | 170.5 |
| 13' (CH2) | 55.3 |
| 14' (CH3) | 24.2 |
| 15' (CH2) | 71 |
| 1'' (C) | 168.5 |
| 2'' (C) | 128 |
| 3'' (CH) | 139 |
| 4'' (CH3) | 14.5 |
| 5'' (CH3) | 12.1 |
| 8'' (CH3) | 20.5 |
| 9'' (C) | 170.4 |
