Spektraris NMR
Picealactone B
Common Name: Picealactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O4/c1-18(2,23)11-6-7-13-12(10-11)14(21)15-16-19(13,3)8-5-9-20(16,4)17(22)24-15/h6-7,10,23H,5,8-9H2,1-4H3/t19-,20-/m1/s1
InChIKey: InChIKey=IQMDFQYVBMPOOW-WOJBJXKFSA-N
Formula: C20H22O4
Molecular Weight: 326.387034
Exact Mass: 326.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - uo, Y.H., Yeh, M.H., Lin, H.C. Chem Pharm Bull (2004) 52, 861-3
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) | 42.3 |
| 2 (CH2) | 18.9 |
| 3 (CH2) | 35.9 |
| 4 (C) | 47.1 |
| 5 (C) | 145.6 |
| 6 (C) | 142.4 |
| 7 (C) | 173.7 |
| 8 (C) | 130.8 |
| 9 (C) | 149.1 |
| 10 (C) | 38.9 |
| 11 (CH) | 125.9 |
| 12 (CH) | 129.6 |
| 13 (C) | 148.1 |
| 14 (CH) | 122.7 |
| 15 (C) | 72.3 |
| 16 (CH3) | 31.7 |
| 17 (CH3) | 31.7 |
| 18 (C) | 179.5 |
| 19 (CH3) | 21 |
| 20 (CH3) | 24.4 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.