Spektraris NMR
(1S,4S,5S,10R)-ZEDOARONDIOL
Common Name: (1S,4S,5S,10R)-ZEDOARONDIOL
Synonyms: (1S,4S,5S,10R)-ZEDOARONDIOL
CAS Registry Number:
InChI: InChI=1S/C15H24O3/c1-9(2)10-7-12-11(5-6-14(12,3)17)15(4,18)8-13(10)16/h11-12,17-18H,5-8H2,1-4H3/t11-,12-,14-,15+/m0/s1
InChIKey: InChIKey=TXIKNNOOLCGADE-NZBPQXDJSA-N
Formula: C15H24O3
Molecular Weight: 252.349831
Exact Mass: 252.172545
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Lou, Y., Zhao, F., He, H., Peng, K.F., Zhou, X.H., Chen, L.X., Qiu, F. J Asian Nat Prod Res (2009) 11, 737-47
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 51.2 |
| 2 (CH2) | 23.2 |
| 3 (CH2) | 36.6 |
| 4 (C) | 80.6 |
| 5 (CH) | 52.6 |
| 6 (CH2) | 26.7 |
| 7 (C) | 134.4 |
| 8 (C) | 202.9 |
| 9 (CH2) | 52.3 |
| 10 (C) | 70.8 |
| 11 (C) | 140.8 |
| 12 (CH3) | 22.1 |
| 13 (CH3) | 21.4 |
| 14 (CH3) | 29 |
| 15 (CH3) | 24.8 |
