Spektraris NMR
3-Oxoisotaxodione
Common Name: 3-Oxoisotaxodione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O4/c1-10(2)12-8-11-9-13(21)18-19(3,4)14(22)6-7-20(18,5)15(11)17(24)16(12)23/h8-10,18,24H,6-7H2,1-5H3/t18-,20-/m1/s1
InChIKey: InChIKey=QRQXVGKAYRQVAJ-UYAOXDASSA-N
Formula: C20H24O4
Molecular Weight: 328.402916
Exact Mass: 328.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chyu, C.F., Lin, H.C., Kuo, Y.H. Chem Pharm Bull (2005) 53, 11-4
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) | 35.9 |
| 2 (CH2) | 36 |
| 3 (C) | 213.1 |
| 4 (C) | 47.2 |
| 5 (CH) | 66.2 |
| 6 (C) | 199.6 |
| 7 (CH) | 132.6 |
| 8 (C) | 143.2 |
| 9 (C) | 118.8 |
| 10 (C) | 40.4 |
| 11 (C) | 145.8 |
| 12 (C) | 181.3 |
| 13 (C) | 146.4 |
| 14 (CH) | 136.2 |
| 15 (CH) | 27.4 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 24.3 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 30.7 |
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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.