Spektraris NMR
2b-Hydroxysubergorgic acid
Common Name: 2b-Hydroxysubergorgic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-8-6-12(16)15-9(2)10(13(17)18)7-14(15,3)5-4-11(8)15/h7-9,11-12,16H,4-6H2,1-3H3,(H,17,18)/t8-,9+,11+,12-,14+,15?/m0/s1
InChIKey: InChIKey=GRJIJCAVEARKHZ-WESDDCBCSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
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) | 68 |
| 2 (CH) | 76 |
| 3 (CH2) | 45.6 |
| 4 (CH) | 39.7 |
| 5 (CH) | 63.7 |
| 6 (CH2) | 30.3 |
| 7 (CH2) | 40 |
| 8 (C) | 59.3 |
| 9 (CH) | 156.4 |
| 10 (C) | 136.7 |
| 11 (CH) | 50.4 |
| 12 (CH3) | 20.4 |
| 13 (CH3) | 22.3 |
| 14 (C) | 169.8 |
| 15 (CH3) | 17.5 |
