Spektraris NMR
9α-Hydroxy-seco-ratiferolide-5α-O-(2-methylbutyrate)
Common Name: 9α-Hydroxy-seco-ratiferolide-5α-O-(2-methylbutyrate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O7/c1-6-8-15(22)20(25)12(5)14(21)9-13-11(4)19(24)26-16(13)17(20)27-18(23)10(3)7-2/h6,8,10,12-14,16-17,21,25H,4,7,9H2,1-3,5H3/b8-6+/t10?,12-,13?,14+,16+,17-,20+/m0/s1
InChIKey: InChIKey=WFHINDLSACGWNX-BKSSUYTFSA-N
Formula: C20H28O7
Molecular Weight: 380.432894
Exact Mass: 380.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cui, B., Lee, Y.H., Chai, H., Tucker, J.C., Fairchild, C.R., Raventos-Suarez, C., Long, B., Lane, K.E., Menendez, A.T., Beecher, C.W., Cordell, G.A., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (1999) 62, 1545-50
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Xanthanes; 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 (C) | 82.2 |
| 2 (C) | 196.8 |
| 3 (CH) | 125.3 |
| 4 (CH) | 145.6 |
| 5 (CH) | 78.6 |
| 6 (CH) | 77 |
| 7 (CH) | 34.1 |
| 8 (CH2) | 37.1 |
| 9 (CH) | 70.9 |
| 10 (CH) | 41.4 |
| 11 (C) | 137.6 |
| 12 (C) | 168.8 |
| 13 (CH2) | 123.8 |
| 14 (CH3) | 12.7 |
| 15 (CH3) | 18.4 |
| 5a (C) | 175.6 |
| 5b (CH) | 40.9 |
| 5c (CH2) | 26.2 |
| 5d (CH3) | 11.4 |
| 52a (CH3) | 16.1 |
