Spektraris NMR
Apetalactone
Common Name: Apetalactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-20-26(4)11-10-22-27(5,21(26)8-9-24(32)33-20)13-14-29(7)23-18-25(2,3)12-16-30(23,19-31)17-15-28(22,29)6/h20-23,31H,8-19H2,1-7H3/t20-,21-,22+,23+,26-,27+,28-,29+,30-/m1/s1
InChIKey: InChIKey=BWYZTOBVTZACSG-QOAFEPIISA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Patra A., Chaudhuri S.K., Acharya A.K. Magn Reson Chem (1990) 28, 85
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 18.5 |
| 2 (CH2) | 34.3 |
| 3 (C) | 176 |
| 4 (CH) | 84.8 |
| 5 (C) | 40.8 |
| 6 (CH2) | 38.4 |
| 7 (CH2) | 18 |
| 8 (CH) | 52.1 |
| 9 (C) | 38.2 |
| 10 (CH) | 64.1 |
| 11 (CH2) | 34.4 |
| 12 (CH2) | 30.1 |
| 13 (C) | 39 |
| 14 (C) | 38.2 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 29 |
| 17 (C) | 35.1 |
| 18 (CH) | 39.3 |
| 19 (CH2) | 35.2 |
| 20 (C) | 28 |
| 21 (CH2) | 31.4 |
| 22 (CH2) | 33.3 |
| 23 (CH3) | 16 |
| 24 (CH3) | 13.3 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 19 |
| 27 (CH3) | 18.9 |
| 28 (CH2) | 68 |
| 29 (CH3) | 32.7 |
| 30 (CH3) | 34.2 |
