Spektraris NMR
Sesquiterpene BR-II a
Common Name: Sesquiterpene BR-II a
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-8-10-6-11-9(2)12(16)4-5-15(11,3)7-13(10)18-14(8)17/h4-5,10-13,16H,1-2,6-7H2,3H3/t10-,11+,12?,13-,15-/m1/s1
InChIKey: InChIKey=IAQSDVSTWFUONY-SMGHJGIKSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herz, W., Kumar, N. Phytochemistry (1979) 18, 1743
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 127.5 |
| 2 (CH) | 139.9 |
| 3 (CH) | 70.3 |
| 4 (C) | 148.6 |
| 5 (CH) | 44.1 |
| 6 (CH2) | 27.1 |
| 7 (CH) | 40.4 |
| 8 (CH) | 76.4 |
| 9 (CH2) | 38.4 |
| 10 (C) | 36.6 |
| 11 (C) | 141.6 |
| 12 (C) | 170.3 |
| 13 (CH2) | 120.7 |
| 14 (CH3) | 20.6 |
| 15 (CH2) | 105.3 |
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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.