Spektraris NMR
2b-Acetoxysubergorgic acid
Common Name: 2b-Acetoxysubergorgic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O4/c1-9-7-14(21-11(3)18)17-10(2)12(15(19)20)8-16(17,4)6-5-13(9)17/h8-10,13-14H,5-7H2,1-4H3,(H,19,20)/t9-,10+,13+,14-,16+,17+/m0/s1
InChIKey: InChIKey=MVLDXYFDAJPYLM-PYULSUTASA-N
Formula: C17H24O4
Molecular Weight: 292.370708
Exact Mass: 292.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, G.H., Ahmed, A.F., Kuo, Y.H., Sheu, J.H. J Nat Prod (2002) 65, 1033-6
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Silphiperfolianes; 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 (C) | 66.9 |
| 2 (CH) | 79.1 |
| 3 (CH2) | 42.7 |
| 4 (CH) | 39.9 |
| 5 (CH) | 63.9 |
| 6 (CH2) | 30.1 |
| 7 (CH2) | 39.9 |
| 8 (C) | 59.2 |
| 9 (CH) | 155.5 |
| 10 (C) | 136.5 |
| 11 (CH) | 50.7 |
| 12 (CH3) | 20 |
| 13 (CH3) | 21.8 |
| 14 (C) | 168.6 |
| 15 (CH3) | 17.6 |
| 2a (C) | 170.3 |
| 2b (CH3) | 21.7 |
