Spektraris NMR
11β,13-Epoxy-8β-acetoxy-α-cyclocostunolide
Common Name: 11β,13-Epoxy-8β-acetoxy-α-cyclocostunolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-9-5-4-6-16(3)7-11(21-10(2)18)13-14(12(9)16)22-15(19)17(13)8-20-17/h5,11-14H,4,6-8H2,1-3H3/t11-,12-,13-,14-,16-,17-/m1/s1
InChIKey: InChIKey=XEKJIBQOGSYGEY-GZUXKWSESA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gao, F., Miski, M., Mabry, T.J. Phytochemistry (1986) 25, 1231-3
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 (CH2) | 24.4 |
| 2 (CH2) | 36 |
| 3 (CH) | 124.2 |
| 4 (C) | 145.3 |
| 5 (CH) | 50 |
| 6 (CH) | 73.2 |
| 7 (CH) | 65.5 |
| 8 (CH) | 67.1 |
| 9 (CH2) | 42.1 |
| 10 (C) | 59.6 |
| 11 (C) | 57.1 |
| 12 (C) | 172.3 |
| 13 (CH2) | 50.6 |
| 14 (CH3) | 19.9 |
| 15 (CH3) | 17.8 |
| 8a (C) | 169.4 |
| 8b (CH3) | 21.1 |
