Spektraris NMR
7α-hydroxylathyrol
Common Name: 7α-hydroxylathyrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-9-6-12-13(19(12,4)5)7-14(21)11(3)17(23)15-16(22)10(2)8-20(15,25)18(9)24/h6,10,12-17,21-23,25H,3,7-8H2,1-2,4-5H3/b9-6+/t10-,12+,13-,14+,15+,16-,17-,20+/m0/s1
InChIKey: InChIKey=NVDZRSWQWPPKAI-XAFDDLNWSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Appendino, G., Belloro, E., Tron, G.C., Jakupovic, J., Ballero, M. J Nat Prod (1999) 62, 1399-404
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 47.2 |
| 2 (CH) | 35.8 |
| 3 (CH) | 76.9 |
| 4 (CH) | 53.2 |
| 5 (CH) | 63.4 |
| 6 (C) | 147.8 |
| 7 (CH) | 76.2 |
| 8 (CH2) | 22.8 |
| 9 (CH) | 30.3 |
| 10 (C) | 26.6 |
| 11 (CH) | 27.4 |
| 12 (CH) | 147.8 |
| 13 (C) | 132.2 |
| 14 (C) | 199.8 |
| 15 (C) | 87.2 |
| 16 (CH3) | 12.8 |
| 17 (CH2) | 111.3 |
| 18 (CH3) | 30 |
| 19 (CH3) | 14.8 |
| 20 (CH3) | 11.1 |
