Spektraris NMR
Honulactone A
Common Name: Honulactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O5/c1-17-16-31(17)12-7-11-28(4)22(31)10-13-29(5)21-9-8-20-19(3)35-27(34)26(20)30(21,6)24(15-23(28)29)36-25(33)14-18(2)32/h17-19,21-24,32H,7-16H2,1-6H3/t17-,18?,19-,21-,22+,23+,24-,28-,29-,30+,31-/m0/s1
InChIKey: InChIKey=SAYLZVSSPJIKMV-JQGLODCTSA-N
Formula: C31H46O5
Molecular Weight: 498.695112
Exact Mass: 498.334525
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) | 39.7 |
| 2 (CH2) | 21.1 |
| 3 (CH2) | 33 |
| 4 (C) | 22.6 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 17.5 |
| 7 (CH2) | 40 |
| 8 (C) | 37.8 |
| 9 (CH) | 51.4 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.1 |
| 12 (CH) | 74.5 |
| 13 (C) | 38.4 |
| 14 (CH) | 51.2 |
| 15 (CH2) | 16.8 |
| 16 (CH2) | 24 |
| 17 (C) | 164.1 |
| 18 (C) | 132.7 |
| 19 (CH2) | 13.6 |
| 20 (CH) | 13.4 |
| 21 (CH3) | 16.8 |
| 22 (CH3) | 13.9 |
| 23 (CH3) | 21.4 |
| 24 (CH) | 77.9 |
| 25 (C) | 171.3 |
| 26 (CH3) | 18.6 |
| 27 (CH3) | 13.1 |
| 12a (C) | 171.5 |
| 12b (CH2) | 43.4 |
| 12c (CH) | 64.2 |
| 12d (CH3) | 22.3 |
