Spektraris NMR
(3S,5S,9S,10S)-3b-Hydroxy-7-oxo-14-nor-13,14-secopodocarp-11-en-13,9a-olactone
Common Name: (3S,5S,9S,10S)-3b-Hydroxy-7-oxo-14-nor-13,14-secopodocarp-11-en-13,9a-olactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O4/c1-14(2)11-8-10(17)9-16(7-5-13(19)20-16)15(11,3)6-4-12(14)18/h5,7,11-12,18H,4,6,8-9H2,1-3H3/t11-,12-,15-,16+/m0/s1
InChIKey: InChIKey=DIVBZXYEQJKKOA-GVAFMPQTSA-N
Formula: C16H22O4
Molecular Weight: 278.344091
Exact Mass: 278.151809
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chien, S.C., Kuo, Y.H. Helv Chim Acta (2004) 87, 554-9
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) | 29.5 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 77.2 |
| 4 (C) | 39.3 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 38.2 |
| 7 (C) | 205.7 |
| 8 (CH2) | 46.3 |
| 9 (C) | 94.4 |
| 10 (C) | 40.4 |
| 11 (CH) | 155.5 |
| 12 (CH) | 122.9 |
| 13 (C) | 171.1 |
| 18 (CH3) | 27.3 |
| 19 (CH3) | 15 |
| 20 (CH3) | 17.5 |
