Spektraris NMR
1β,10β-Epoxy-11β-(phenylseleno)guaia-4(14)-eno-13,6α-lactone
Common Name: 1β,10β-Epoxy-11β-(phenylseleno)guaia-4(14)-eno-13,6α-lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O3Se/c1-13-9-12-21-16(13)17-15(10-11-19(21,2)24-21)20(3,18(22)23-17)25-14-7-5-4-6-8-14/h4-8,15-17H,1,9-12H2,2-3H3/t15-,16-,17+,19+,20-,21-/m1/s1
InChIKey: InChIKey=IFCIJDOYRDAECV-NITCWVKZSA-N
Formula: C21H24O3S1
Molecular Weight: 356.480331
Exact Mass: 356.144615
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yuuya, S., Hagiwara, H., Suzuki, T., Ando, M., Yamada, A., Suda, K., Kataoka, T., Nagai, K. J Nat Prod (1999) 62, 22-30
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 72.88 |
| 2 (CH2) | 31.09 |
| 3 (CH2) | 32.41 |
| 4 (C) | 148.15 |
| 5 (CH) | 49.06 |
| 6 (CH) | 80.22 |
| 7 (CH) | 57.37 |
| 8 (CH2) | 21.06 |
| 9 (CH2) | 34.25 |
| 10 (C) | 62.84 |
| 11 (C) | 50.01 |
| 12 (C) | 175.96 |
| 13 (CH3) | 22.86 |
| 14 (CH3) | 21.84 |
| 15 (CH2) | 110.71 |
| 11a (C) | 124.33 |
| 11b (CH) | 138.29 |
| 11c (CH) | 128.88 |
| 11d (CH) | 129.63 |
| 11e (CH) | 128.88 |
| 11f (CH) | 138.29 |
