Spektraris NMR
Honulactone J
Common Name: Honulactone J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O7/c1-9-22(36)17-28(37)41-27-18-26-32(6)15-10-14-31(5,20(3)40-21(4)35)24(32)13-16-33(26,7)25-12-11-23-19(2)39-30(38)29(23)34(25,27)8/h19-20,22,24-27,36H,9-18H2,1-8H3/t19-,20?,22?,24+,25+,26-,27+,31-,32+,33+,34-/m1/s1
InChIKey: InChIKey=GBTJXNUSKMXKNC-UNIRUMEESA-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) | 39.2 |
| 5 (CH) | 58.9 |
| 6 (CH2) | 20 |
| 7 (CH2) | 42.4 |
| 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) | 16.8 |
| 16 (CH2) | 24 |
| 17 (C) | 164 |
| 18 (C) | 132.7 |
| 19 (CH3) | 23.2 |
| 20 (CH) | 73.1 |
| 21 (CH3) | 16.6 |
| 22 (CH3) | 16.5 |
| 23 (CH3) | 21.4 |
| 24 (CH) | 78.1 |
| 25 (C) | 171.2 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 15.8 |
| 12a (C) | 171.6 |
| 12b (CH2) | 41.5 |
| 12c (CH) | 69.4 |
| 12d (CH2) | 29.3 |
| 12e (CH3) | 10 |
| 20a (C) | 170.3 |
| 20b (CH3) | 21.8 |
