Spektraris NMR
Supinenolone A
Common Name: Supinenolone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-19,21-23,31,33H,9-16H2,1-8H3/t18-,19-,21-,22+,23+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=VGKDKBUHLQYHBS-JRGYHQGSSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka R., Matsunaga S. Phytochemistry (1989) 28, 3149
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Fernanes; 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) | 34.1 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 78.6 |
| 4 (C) | 38.4 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 28.6 |
| 7 (CH) | 64.2 |
| 8 (C) | 158 |
| 9 (C) | 142.6 |
| 10 (C) | 38.6 |
| 11 (C) | 199.9 |
| 12 (CH2) | 50.8 |
| 13 (C) | 43.3 |
| 14 (C) | 37.5 |
| 15 (CH2) | 27.3 |
| 16 (CH2) | 35.8 |
| 17 (C) | 42.7 |
| 18 (CH) | 51.9 |
| 19 (CH2) | 20.3 |
| 20 (CH2) | 28 |
| 21 (CH) | 59.5 |
| 22 (CH) | 30.7 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.1 |
| 25 (CH3) | 18 |
| 26 (CH3) | 23.9 |
| 27 (CH3) | 19.7 |
| 28 (CH3) | 13.9 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 22.1 |
