Spektraris NMR
1-Oxosalvibretol
Common Name: 1-Oxosalvibretol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O3/c1-11(2)14-10-13-7-6-12(3)16-15(21)8-9-19(4,23)20(5,17(13)16)18(14)22/h6-7,10-11,23H,8-9H2,1-5H3/t19-,20+/m0/s1
InChIKey: InChIKey=CZDMJFHCCVCECP-VQTJNVASSA-N
Formula: C20H24O3
Molecular Weight: 312.403511
Exact Mass: 312.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Ulubelen, A. J Nat Prod (1996) 59, 734-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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 (C) | 210.8 |
| 2 (CH2) | 41.2 |
| 3 (CH2) | 35.1 |
| 4 (C) | 84.3 |
| 5 (C) | 132.2 |
| 6 (CH) | 126.3 |
| 7 (CH) | 128.1 |
| 8 (C) | 126.8 |
| 9 (C) | 130.4 |
| 10 (C) | 147.4 |
| 11 (C) | 41.2 |
| 12 (C) | 202.3 |
| 13 (C) | 136.6 |
| 14 (CH) | 121.1 |
| 15 (CH) | 27.8 |
| 16 (CH3) | 22.3 |
| 17 (CH3) | 22.3 |
| 18 (CH3) | 25.9 |
| 19 (CH3) | 26.2 |
| 20 (CH3) | 18.7 |
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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.