Spektraris NMR
3-Oxomicrostegiol
Common Name: 3-Oxomicrostegiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O3/c1-11(2)15-10-13-7-6-12(3)14-8-9-16(21)19(4,5)20(23,17(13)14)18(15)22/h6-7,10-11,23H,8-9H2,1-5H3/t20-/m0/s1
InChIKey: InChIKey=QLNYSFRMDFYAMW-FQEVSTJZSA-N
Formula: C20H24O3
Molecular Weight: 312.403511
Exact Mass: 312.172545
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) | 24.7 |
| 2 (CH2) | 40.3 |
| 3 (C) | 210.5 |
| 4 (C) | 55.7 |
| 5 (C) | 137.9 |
| 6 (CH) | 130.8 |
| 7 (CH) | 127.5 |
| 8 (C) | 129.1 |
| 9 (C) | 138.3 |
| 10 (C) | 140.5 |
| 11 (C) | 81.9 |
| 12 (C) | 203.5 |
| 13 (C) | 141.2 |
| 14 (CH) | 141.1 |
| 15 (CH) | 27.3 |
| 16 (CH3) | 21.5 |
| 17 (CH3) | 22 |
| 18 (CH3) | 21.2 |
| 19 (CH3) | 21.4 |
| 20 (CH3) | 21.2 |
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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.