Spektraris NMR
Scutione
Common Name: Scutione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H34O3/c1-15-11-23-26(4,14-22(15)30)13-16(2)24-19-8-7-18-17(3)25(31)21(29)12-20(18)27(19,5)9-10-28(23,24)6/h7-8,12,15,23,31H,9-11,13-14H2,1-6H3/t15-,23-,26+,27-,28+/m1/s1
InChIKey: InChIKey=YEERJENQPQFGOH-YRLXDCGBSA-N
Formula: C28H34O3
Molecular Weight: 418.568806
Exact Mass: 418.250795
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gonzalez, A.G., Alvarenga, N.L., Ravelo, A.G., Bazzocchi, I.L., Ferro, E.A., Navarro, A.G., Moujir, L.M. Bioorg Med Chem (1996) 4, 815
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 120 |
| 2 (C) | 178.1 |
| 3 (C) | 146.3 |
| 4 (C) | 116.8 |
| 5 (C) | 128.1 |
| 6 (CH) | 134.4 |
| 7 (CH) | 122.1 |
| 8 (C) | 158.6 |
| 9 (C) | 44.2 |
| 10 (C) | 159.7 |
| 11 (CH2) | 36 |
| 12 (CH2) | 31.8 |
| 13 (C) | 42.1 |
| 14 (C) | 135.6 |
| 15 (C) | 127.9 |
| 16 (CH2) | 45.6 |
| 17 (C) | 36.3 |
| 18 (CH) | 47.8 |
| 19 (CH2) | 37.8 |
| 20 (CH) | 41.7 |
| 21 (C) | 213.8 |
| 22 (CH2) | 49.8 |
| 23 (CH3) | 10.4 |
| 25 (CH3) | 28.5 |
| 26 (CH3) | 21.3 |
| 27 (CH3) | 23.1 |
| 28 (CH3) | 30.2 |
| 30 (CH3) | 16 |
