Spektraris NMR
Gerin
Common Name: Gerin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O5/c1-10(17(21)22-5)13-8-14-11(2)15(20)6-7-18(14,4)9-16(13)23-12(3)19/h6-7,13-14,16H,1-2,8-9H2,3-5H3/t13-,14+,16-,18-/m1/s1
InChIKey: InChIKey=GJAARPKBDFKHFS-CXHZTBPHSA-N
Formula: C18H22O5
Molecular Weight: 318.364967
Exact Mass: 318.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.R., Wu, Q.X., Shi, Y.P. Chem Biodivers (2008) 5, 279-89
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) | 160.6 |
| 2 (CH) | 126.29 |
| 3 (C) | 188.69 |
| 4 (C) | 145.01 |
| 5 (CH) | 48.21 |
| 6 (CH2) | 23.11 |
| 7 (CH) | 41.17 |
| 8 (CH) | 69.55 |
| 9 (CH2) | 39.83 |
| 10 (C) | 37.22 |
| 11 (C) | 140.11 |
| 12 (C) | 166.58 |
| 13 (CH2) | 125.49 |
| 14 (CH3) | 20.61 |
| 15 (CH2) | 118.17 |
| 8a (C) | 169.74 |
| 8b (CH3) | 20.99 |
| 12a (CH3) | 51.96 |
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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.