Spektraris NMR
3í,6í-Epoxycycloaurapten
Common Name: 3í,6í-Epoxycycloaurapten
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H22O4/c1-18(2)15(19(3)9-8-16(18)23-19)11-21-13-6-4-12-5-7-17(20)22-14(12)10-13/h4-7,10,15-16H,8-9,11H2,1-3H3/t15-,16?,19-/m0/s1
InChIKey: InChIKey=CDESNYRIBHAYHP-QLYZIHHJSA-N
Formula: C19H22O4
Molecular Weight: 314.376298
Exact Mass: 314.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - DiFazio, M.P., Sneden, A.T. J Nat Prod (1990) 53, 1357-61
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 |
|---|---|
| 2 (C) | 172.6 |
| 3 (CH) | 117.5 |
| 4 (CH) | 135.2 |
| 5 (CH) | 120 |
| 6 (CH) | 104.4 |
| 7 (C) | 151.5 |
| 8 (CH) | 135.9 |
| 9 (C) | 151.7 |
| 10 (C) | 118.2 |
| 1' (CH2) | 66.05 |
| 2' (CH) | 51.7 |
| 3' (C) | 87.97 |
| 4' (CH2) | 23.49 |
| 5' (CH2) | 26.92 |
| 6' (CH) | 86.94 |
| 7' (C) | 43.11 |
| 8' (CH3) | 19.48 |
| 9' (CH3) | 20.04 |
| 10' (CH3) | 33.39 |
