Spektraris NMR
Antheliolide A
Common Name: Antheliolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O3/c1-13-7-6-8-14(2)18-16(10-9-13)24-12-11-17-20(24)19(15(3)26-21(18)24)22(25)27-23(17,4)5/h7,16-18,20-21H,2,6,8-12H2,1,3-5H3/b13-7+/t16-,17-,18-,20-,21+,24?/m1/s1
InChIKey: InChIKey=FMYRDMFDPRCQQF-OYZSYOIHSA-N
Formula: C24H32O3
Molecular Weight: 368.50998
Exact Mass: 368.235145
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Gray, C.A., Rivett, D.E., Davies-Coleman, M.T Phytochemistry (2003) 63, 409-13
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xeniaphyllanes; 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 (CH) | 46.6 |
| 2 (CH2) | 30.6 |
| 3 (CH2) | 39.7 |
| 4 (C) | 134.3 |
| 5 (CH) | 125.3 |
| 6 (CH2) | 29.4 |
| 7 (CH2) | 33.7 |
| 8 (C) | 149.6 |
| 9 (CH) | 60.4 |
| 10 (CH) | 80.8 |
| 11 (C) | 40.4 |
| 12 (CH2) | 42.1 |
| 13 (CH2) | 27.6 |
| 14 (CH) | 57.8 |
| 15 (C) | 84 |
| 16 (CH3) | 30 |
| 17 (CH3) | 22.7 |
| 18 (CH) | 37.6 |
| 19 (CH2) | 115.4 |
| 20 (CH3) | 16.7 |
| 21 (C) | 105 |
| 22 (C) | 167 |
| 23 (C) | 162.7 |
| 24 (CH3) | 20.8 |
