Spektraris NMR
Honulactone K
Common Name: Honulactone K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O7/c1-9-27(36)40-21(4)31(5)14-10-15-32(6)23(31)13-16-33(7)24-12-11-22-20(3)39-30(38)29(22)34(24,8)26(18-25(32)33)41-28(37)17-19(2)35/h19-21,23-26,35H,9-18H2,1-8H3/t19?,20-,21?,23-,24-,25+,26-,31+,32-,33-,34+/m0/s1
InChIKey: InChIKey=FGNQJOICDXUFFV-XUYCKWSHSA-N
Formula: C34H52O7
Molecular Weight: 572.773774
Exact Mass: 572.371304
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jimenez, J.I., Yoshida, W.Y., Scheuer, P.J., Lobkovsky, E., Clardy, J., Kelly, M. J Org Chem (2000) 65, 6837-40
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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 (CH2) | 40.3 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 39 |
| 4 (C) | 39.3 |
| 5 (CH) | 58.9 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 42.3 |
| 8 (C) | 37.5 |
| 9 (CH) | 53.8 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21 |
| 12 (CH) | 74.5 |
| 13 (C) | 38.3 |
| 14 (CH) | 51 |
| 15 (CH2) | 16.7 |
| 16 (CH2) | 24 |
| 17 (C) | 164.1 |
| 18 (C) | 132.7 |
| 19 (CH3) | 23.2 |
| 20 (CH) | 72.8 |
| 21 (CH3) | 16.5 |
| 22 (CH3) | 16.6 |
| 23 (CH3) | 21.4 |
| 24 (CH) | 77.9 |
| 25 (C) | 171.3 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 15.8 |
| 12a (C) | 171.5 |
| 12b (CH2) | 43.4 |
| 12c (CH) | 64.2 |
| 12d (CH3) | 22.2 |
| 20a (C) | 173.5 |
| 20b (CH2) | 28.5 |
| 20c (CH3) | 9.2 |
