Spektraris NMR
Intricarene
Common Name: Intricarene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O4/c1-10(2)13-5-6-19-15-14(23-17(19)22)7-11(3)8-18(15)9-12(4)16(21)20(13,19)24-18/h8-9,13-15H,1,5-7H2,2-4H3/t13-,14-,15-,18+,19+,20-/m0/s1
InChIKey: InChIKey=HCZKOYIAXQIACP-DRZXCDEASA-N
Formula: C20H22O4
Molecular Weight: 326.387034
Exact Mass: 326.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marrero, J., Rodriguez, A.D., Barnes, C.L. Org Lett (2005) 7, 1877-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Intrincaranes; 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) | 46.4 |
| 2 (C) | 102.8 |
| 3 (C) | 193 |
| 4 (C) | 137.2 |
| 5 (CH) | 147.3 |
| 6 (C) | 84.6 |
| 7 (CH) | 128.1 |
| 8 (C) | 135.2 |
| 9 (CH2) | 35.7 |
| 10 (CH) | 70.7 |
| 11 (CH) | 58 |
| 12 (C) | 64.2 |
| 13 (CH2) | 29.3 |
| 14 (CH2) | 28.5 |
| 15 (C) | 141.8 |
| 16 (CH2) | 113.3 |
| 17 (CH3) | 23.1 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 23 |
| 20 (C) | 177.9 |
