Spektraris NMR
Salvibretol
Common Name: Salvibretol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O2/c1-12(2)16-11-14-9-8-13(3)15-7-6-10-19(4,22)20(5,17(14)15)18(16)21/h8-9,11-12,22H,6-7,10H2,1-5H3/t19-,20+/m0/s1
InChIKey: InChIKey=XMQVKRAEEXPSNC-VQTJNVASSA-N
Formula: C20H26O2
Molecular Weight: 298.419987
Exact Mass: 298.19328
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 (CH2) | 26.5 |
| 2 (CH2) | 23 |
| 3 (CH2) | 33.3 |
| 4 (C) | 85 |
| 5 (C) | 132.7 |
| 6 (CH) | 126.7 |
| 7 (CH) | 125.8 |
| 8 (C) | 134.1 |
| 9 (C) | 129.7 |
| 10 (C) | 147.3 |
| 11 (C) | 41.6 |
| 12 (C) | 202.9 |
| 13 (C) | 134.9 |
| 14 (CH) | 120.7 |
| 15 (CH) | 27.6 |
| 16 (CH3) | 22.3 |
| 17 (CH3) | 22.4 |
| 18 (CH3) | 26.3 |
| 19 (CH3) | 27.4 |
| 20 (CH3) | 19.1 |
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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.