Spektraris NMR
ent-5β,16-Dihydroxyrosan-15-one
Common Name: ent-5β,16-Dihydroxyrosan-15-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H36O4/c1-15(23)26-14-18(24)20(4)11-12-21(5)16(13-20)8-10-22(25)17(21)7-6-9-19(22,2)3/h16-17,25H,6-14H2,1-5H3/t16-,17+,20-,21-,22-/m0/s1
InChIKey: InChIKey=VAVBWLFPWSSVPU-OHJZQYHNSA-N
Formula: C22H36O4
Molecular Weight: 364.519677
Exact Mass: 364.26136
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Ansell, S.M., Pegel, K.H., Taylor, D.A.H. Phytochemistry (1993) 32, 945-52
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Rosanes; 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 (CH2) | 22.1 |
| 3 (CH2) | 36.9 |
| 4 (C) | 38.9 |
| 5 (C) | 76.5 |
| 6 (CH2) | 35.3 |
| 7 (CH2) | 25 |
| 8 (CH) | 41.2 |
| 9 (C) | 36.6 |
| 10 (CH) | 46.8 |
| 11 (CH2) | 32.7 |
| 12 (CH2) | 28 |
| 13 (C) | 46.4 |
| 14 (CH2) | 34.4 |
| 15 (C) | 207.9 |
| 16 (CH2) | 64.5 |
| 17 (CH3) | 20.6 |
| 18 (CH3) | 23.9 |
| 19 (CH3) | 24.4 |
| 20 (CH3) | 12 |
| 16a (C) | 170.3 |
| 16b (CH3) | 20.4 |
