Spektraris NMR
Sclerophytin A
Common Name: Sclerophytin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-11(2)13-7-6-12(3)16-14-10-20(5,23)15(21)8-9-19(4,22)18(24-14)17(13)16/h11,13-18,21-23H,3,6-10H2,1-2,4-5H3/t13-,14-,15+,16-,17-,18-,19-,20+/m1/s1
InChIKey: InChIKey=BEAXQAULPSVWQY-QXXRKKQISA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Friedrich, D., Paquette, L.A. J Nat Prod (2002) 65, 126-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Eunicellanes; 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) | 45.2 |
| 2 (CH) | 90.5 |
| 3 (C) | 74.8 |
| 4 (CH2) | 39.9 |
| 5 (CH2) | 29.4 |
| 6 (CH) | 79.9 |
| 7 (C) | 77 |
| 8 (CH2) | 45.4 |
| 9 (CH) | 78.2 |
| 10 (CH) | 52.6 |
| 11 (C) | 147.9 |
| 12 (CH2) | 31.6 |
| 13 (CH2) | 24.9 |
| 14 (CH) | 43.7 |
| 15 (CH3) | 30.3 |
| 16 (CH3) | 23.1 |
| 17 (CH2) | 109.1 |
| 18 (CH) | 29.1 |
| 19 (CH3) | 16 |
| 20 (CH3) | 22 |
