Spektraris NMR
Onaceranoxide
Common Name: Onaceranoxide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-25(2)15-9-17-27(5)21(25)13-19-29(7)23(27)11-12-24-28(6)18-10-16-26(3,4)22(28)14-20-30(24,8)31-29/h21-24H,9-20H2,1-8H3/t21-,22-,23+,24+,27-,28-,29+,30+/m0/s1
InChIKey: InChIKey=WKJQOTFJIQYADY-QPYQYMOUSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ageta H., Shiojima K., Masuda K. Chem Pharm Bull (1982) 30, 2272
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Onoceranes; 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) | 40.5 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.2 |
| 4 (C) | 33.5 |
| 5 (CH) | 56.3 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 45.4 |
| 8 (C) | 79.9 |
| 9 (CH) | 60.9 |
| 10 (C) | 38.9 |
| 11 (CH2) | 25 |
| 12 (CH2) | 25 |
| 13 (CH) | 60.9 |
| 14 (C) | 79.9 |
| 15 (CH2) | 45.4 |
| 16 (CH2) | 20.8 |
| 17 (CH) | 56.3 |
| 18 (C) | 38.9 |
| 19 (CH2) | 40.5 |
| 20 (CH2) | 19 |
| 21 (CH2) | 42.2 |
| 22 (C) | 33.5 |
| 23 (CH3) | 33.5 |
| 24 (CH3) | 21.5 |
| 25 (CH3) | 15.8 |
| 26 (CH3) | 25.4 |
| 27 (CH3) | 25.4 |
| 28 (CH3) | 15.8 |
| 29 (CH3) | 21.5 |
| 30 (CH3) | 33.5 |
