Spektraris NMR
Teucrasiolide
Common Name: Teucrasiolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O11/c1-13-20-21(30)26(12-32-14(2)27)18(6-5-8-24(26)11-33-24)25(13,23(37-20)35-16(4)29)9-7-17-10-19(34-15(3)28)36-22(17)31/h7,9-10,13,18-20,23H,5-6,8,11-12H2,1-4H3/b9-7+/t13-,18-,19?,20+,23+,24+,25-,26+/m1/s1
InChIKey: InChIKey=RCPRWFKGQUABHY-ZREWYINHSA-N
Formula: C26H30O11
Molecular Weight: 518.51081
Exact Mass: 518.178812
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B., delaTorre, M.C., Bruno, M., Piozzi, F., Vassallo, N., Ciriminna, R., Servettaz, O. Phytochemistry (1997) 45, 383-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 21.9 |
| 2 (CH2) | 24.8 |
| 3 (CH2) | 31.5 |
| 4 (C) | 62.1 |
| 5 (C) | 53.1 |
| 6 (C) | 202.6 |
| 7 (CH) | 90.5 |
| 8 (CH) | 48.92 |
| 9 (C) | 57.3 |
| 10 (CH) | 55.8 |
| 11 (CH) | 136.3 |
| 12 (CH) | 120.8 |
| 13 (C) | 131.8 |
| 14 (CH) | 140.7 |
| 15 (CH) | 92.05 |
| 16 (C) | 168.4 |
| 17 (CH3) | 15 |
| 18 (CH2) | 49 |
| 19 (CH2) | 62.3 |
| 20 (CH) | 96.3 |
| 15a (C) | 170.6 |
| 15b (CH3) | 21.1 |
| 19a (C) | 169.6 |
| 19b (CH3) | 20.9 |
| 20a (C) | 168.8 |
| 20b (CH3) | 20.6 |
