Spektraris NMR
1β-Hydroxy-8β-tigloxy-4,11(13)-eudesmadien-6α,12-olide
Common Name: 1β-Hydroxy-8β-tigloxy-4,11(13)-eudesmadien-6α,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-6-10(2)18(22)24-13-9-20(5)14(21)8-7-11(3)16(20)17-15(13)12(4)19(23)25-17/h6,13-15,17,21H,4,7-9H2,1-3,5H3/b10-6+/t13-,14-,15-,17+,20+/m1/s1
InChIKey: InChIKey=SRQJXNBJLQESHR-PTQIZQPSSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herz, W., Kulanthaivel, P. Phytochemistry (1983) 22, 715
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 77.7 |
| 2 (CH2) | 26.7 |
| 3 (CH2) | 33.2 |
| 4 (C) | 128.5 |
| 5 (C) | 126.8 |
| 6 (CH) | 77.9 |
| 7 (CH) | 51.8 |
| 8 (CH) | 66.5 |
| 9 (CH2) | 42.8 |
| 10 (C) | 41.8 |
| 11 (C) | 134 |
| 12 (C) | 169.4 |
| 13 (CH2) | 120.9 |
| 14 (CH3) | 19.5 |
| 15 (CH3) | 20.8 |
| 8a (C) | 167.1 |
| 8b (C) | 128.1 |
| 8c (CH) | 138.2 |
| 8d (CH3) | 14.4 |
| 8ba (CH3) | 12.1 |
