Spektraris NMR
Methyl-4b-hydroxy-6-oxo-19-norgrindeloate
Common Name: Methyl-4b-hydroxy-6-oxo-19-norgrindeloate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O5/c1-13-11-14(21)16-18(3,7-6-8-19(16,4)23)20(13)10-9-17(2,25-20)12-15(22)24-5/h11,16,23H,6-10,12H2,1-5H3/t16-,17?,18+,19+,20-/m1/s1
InChIKey: InChIKey=AEAWUZUAVVBDOI-YRSIPMOWSA-N
Formula: C20H30O5
Molecular Weight: 350.449965
Exact Mass: 350.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mahmoud, A.A., Ahmed, A.A., Tanaka, T., Iinuma, M. J Nat Prod (2000) 63, 378-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Grindelanes; 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) | 32.7 |
| 2 (CH2) | 17.1 |
| 3 (CH2) | 39.7 |
| 4 (C) | 70.2 |
| 5 (CH) | 55 |
| 6 (C) | 203.4 |
| 7 (CH) | 128.2 |
| 8 (C) | 156.5 |
| 9 (C) | 89.8 |
| 10 (C) | 45.4 |
| 11 (CH2) | 28.5 |
| 12 (CH2) | 38.4 |
| 13 (C) | 82.8 |
| 14 (CH2) | 47.5 |
| 15 (C) | 171.1 |
| 16 (CH3) | 27.6 |
| 17 (CH3) | 20.9 |
| 18 (CH3) | 31.5 |
| 20 (CH3) | 18.2 |
| 15a (CH3) | 51.4 |
