Spektraris NMR
11α-(Phenylseleno)guaia-4(14),9-dieno-13,6a-lactone
Common Name: 11α-(Phenylseleno)guaia-4(14),9-dieno-13,6a-lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O2Se/c1-13-10-12-17-19(18-14(2)9-11-16(13)18)23-20(22)21(17,3)24-15-7-5-4-6-8-15/h4-8,10,16-19H,2,9,11-12H2,1,3H3/t16-,17+,18-,19-,21+/m0/s1
InChIKey: InChIKey=MDSIESAJPJPWPK-FIRLOTFOSA-N
Formula: C21H24O2S1
Molecular Weight: 340.480926
Exact Mass: 340.149701
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 (CH) | 51.56 |
| 2 (CH2) | 29.14 |
| 3 (CH2) | 29.8 |
| 4 (C) | 150.28 |
| 5 (CH) | 47.58 |
| 6 (CH) | 81.42 |
| 7 (CH) | 52.69 |
| 8 (CH2) | 26.82 |
| 9 (CH) | 121.25 |
| 10 (C) | 138.44 |
| 11 (C) | 51.28 |
| 12 (C) | 175.76 |
| 13 (CH3) | 22.1 |
| 14 (CH3) | 27.84 |
| 15 (CH2) | 110.56 |
| 11a (C) | 124.55 |
| 11b (CH) | 138.33 |
| 11c (CH) | 128.94 |
| 11d (CH) | 129.72 |
| 11e (CH) | 128.94 |
| 11f (CH) | 138.33 |
