Spektraris NMR
13-Isovaleroyl-7-hydroxy-thyrsiflorane
Common Name: 13-Isovaleroyl-7-hydroxy-thyrsiflorane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H42O3/c1-16(2)12-21(27)28-20-13-17-18(26)14-19-22(3,4)8-7-9-24(19,6)25(17)11-10-23(20,5)15-25/h16-20,26H,7-15H2,1-6H3/t17-,18+,19+,20-,23+,24+,25+/m1/s1
InChIKey: InChIKey=CACJBYLDHDLHSY-ZJASCOGOSA-N
Formula: C25H42O3
Molecular Weight: 390.600124
Exact Mass: 390.313395
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chamy, M.C., Piovano, M., Garbarino, J.A., Vargas, C. Phytochemistry (1995) 40, 1751-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Thyrsifloranes; 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) | 32.4 |
| 2 (CH2) | 18.7 |
| 3 (CH2) | 42 |
| 4 (C) | 33.1 |
| 5 (CH) | 46.2 |
| 6 (CH2) | 30.9 |
| 7 (CH) | 73.7 |
| 8 (CH) | 45.1 |
| 9 (C) | 53.2 |
| 10 (C) | 38.6 |
| 11 (CH2) | 44.6 |
| 12 (C) | 43.1 |
| 13 (CH) | 77.9 |
| 14 (CH2) | 32 |
| 15 (CH2) | 32.1 |
| 16 (CH2) | 25.9 |
| 17 (CH3) | 23.2 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 22 |
| 20 (CH3) | 17.6 |
| 13a (C) | 172.8 |
| 13b (CH2) | 43.9 |
| 13c (CH) | 25.2 |
| 13d (CH3) | 22.5 |
| 13e (CH3) | 20.1 |
