Spektraris NMR
13-Hydroxy-17-des(1,5-dimethylhexyl)dammara-1-ene-3,17-dione
Common Name: 13-Hydroxy-17-des(1,5-dimethylhexyl)dammara-1-ene-3,17-dione
Synonyms: 13-Hydroxy-17-des(1,5-dimethylhexyl)dammara-1-ene-3,17-dione
CAS Registry Number:
InChI: InChI=1S/C22H32O3/c1-18(2)14-6-11-20(4)15(19(14,3)10-8-16(18)23)7-13-22(25)17(24)9-12-21(20,22)5/h8,10,14-15,25H,6-7,9,11-13H2,1-5H3/t14-,15+,19-,20+,21-,22-/m0/s1
InChIKey: InChIKey=IIJNLYZZSXXPOF-SKRDFNIVSA-N
Formula: C22H32O3
Molecular Weight: 344.488509
Exact Mass: 344.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Torpocco, V., Chávez, H., Estévez-Braun, A., Ravelo, A.G. Chem Pharm Bull (2007) 55, 812-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 159.3 |
| 2 (CH) | 125.4 |
| 3 (C) | 205.1 |
| 4 (C) | 44.7 |
| 5 (CH) | 53.6 |
| 6 (CH2) | 18.29 |
| 7 (CH2) | 34.5 |
| 8 (C) | 40.9 |
| 9 (CH) | 45.2 |
| 10 (C) | 39.3 |
| 11 (CH2) | 18.74 |
| 12 (CH2) | 28.29 |
| 13 (C) | 78.2 |
| 14 (C) | 49.3 |
| 15 (CH2) | 27.22 |
| 16 (CH2) | 34.11 |
| 17 (C) | 216.4 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 19.9 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 21.4 |
| 30 (CH3) | 18.39 |
