Spektraris NMR
3-keto-4-hydroxysaprorthoquinone
Common Name: 3-keto-4-hydroxysaprorthoquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-11(2)15-10-13-7-6-12(3)14(17(13)19(23)18(15)22)8-9-16(21)20(4,5)24/h6-7,10-11,24H,8-9H2,1-5H3
InChIKey: InChIKey=VDYQVYQVQLEJQY-UHFFFAOYSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, X., Ding, J., Ye, Y.M., Zhang, J.S. J Nat Prod (2002) 65, 1016-20
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 24.9 |
| 2 (CH2) | 23.2 |
| 3 (C) | 213.6 |
| 4 (C) | 76.4 |
| 5 (C) | 146.2 |
| 6 (CH) | 134 |
| 7 (CH) | 137 |
| 8 (C) | 128.6 |
| 9 (C) | 135 |
| 10 (C) | 140 |
| 11 (C) | 182.4 |
| 12 (C) | 181.2 |
| 13 (C) | 144.9 |
| 14 (CH) | 128.6 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 26.5 |
| 19 (CH3) | 26.5 |
| 20 (CH3) | 19.7 |
