Spektraris NMR
Honu’enone
Common Name: Honu’enone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O5/c1-17-15-30(17)10-7-9-27(4)22(30)8-11-28(5)23-13-21(33)20(19(3)32)16-29(23,6)25(14-24(27)28)35-26(34)12-18(2)31/h16-18,22-25,31H,7-15H2,1-6H3/t17-,18?,22+,23-,24+,25-,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=UBSJGEHBYDKKED-BHSGMGCKSA-N
Formula: C30H44O5
Molecular Weight: 484.668495
Exact Mass: 484.318875
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jimenez, J.I., Yoshida, W.Y., Scheuer, P.J., Kelly, M. J Nat Prod (2000) 63, 1388-92
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) | 39.6 |
| 2 (CH2) | 21 |
| 3 (CH2) | 33 |
| 4 (C) | 23.1 |
| 5 (CH) | 50.1 |
| 6 (CH2) | 17.2 |
| 7 (CH2) | 39 |
| 8 (C) | 37.8 |
| 9 (CH) | 50.9 |
| 10 (C) | 36.9 |
| 11 (CH2) | 22.2 |
| 12 (CH) | 76.4 |
| 13 (C) | 41.3 |
| 14 (CH) | 48.8 |
| 15 (CH2) | 34.8 |
| 16 (C) | 197.6 |
| 17 (C) | 136.7 |
| 18 (CH) | 164.2 |
| 19 (CH2) | 13.6 |
| 20 (CH) | 13.3 |
| 21 (CH3) | 16.2 |
| 22 (CH3) | 14 |
| 23 (CH3) | 18.5 |
| 24 (C) | 199.3 |
| 26 (CH3) | 30.7 |
| 27 (CH3) | 13.1 |
| 12a (C) | 171.4 |
| 12b (CH2) | 43.7 |
| 12c (CH) | 64.3 |
| 12d (CH3) | 22.5 |
