Spektraris NMR
Roseotetrol acetate
Common Name: Roseotetrol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O5/c1-8-19(4,25)11-12-20(5)14(2)9-10-21(6)17(20)13-16(27-15(3)23)18(24)22(21,7)26/h8,14,16-18,24-26H,1,9-13H2,2-7H3/t14-,16-,17-,18-,19?,20+,21-,22+/m1/s1
InChIKey: InChIKey=OZJQLOCNNMYYOP-NAUTYMSESA-N
Formula: C22H38O5
Molecular Weight: 382.534963
Exact Mass: 382.271924
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fazio, C., Paternostro, M.P., Passannanti, S., Piozzi, F. Phytochemistry (1994) 37, 501-3
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) | 21.2 |
| 2 (CH) | 73.6 |
| 3 (CH) | 61.9 |
| 4 (C) | 68.9 |
| 5 (C) | 36.6 |
| 6 (CH2) | 36.7 |
| 7 (CH2) | 28.7 |
| 8 (CH) | 36 |
| 9 (C) | 38.6 |
| 10 (CH) | 46.5 |
| 11 (CH2) | 31.7 |
| 12 (CH2) | 35.4 |
| 13 (C) | 73 |
| 14 (CH) | 144.4 |
| 15 (CH2) | 112 |
| 16 (CH3) | 27.9 |
| 17 (CH3) | 15.8 |
| 18 (CH3) | 19.3 |
| 19 (CH3) | 18.7 |
| 20 (CH3) | 16.6 |
| 2a (C) | 171.3 |
| 2b (CH3) | 20.9 |
