Spektraris NMR
Suberosol A
Common Name: Suberosol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O2/c1-9-5-6-13-15(4,17-13)12(16)7-11-10(9)8-14(11,2)3/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12+,13-,15-/m1/s1
InChIKey: InChIKey=FWFSLBQGEMBSLF-ZHZXCYKASA-N
Formula: C15H24O2
Molecular Weight: 236.350426
Exact Mass: 236.17763
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, G.H., Ahmed, A.F., Sheu, J.H., Duh, C.Y., Shen, Y.C., Wang, L.T. J Nat Prod (2002) 65, 887-91
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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) | 47.3 |
| 2 (CH2) | 35.3 |
| 3 (CH) | 79.2 |
| 4 (C) | 62.3 |
| 5 (CH) | 61.4 |
| 6 (CH2) | 29.3 |
| 7 (CH2) | 29.6 |
| 8 (C) | 151.3 |
| 9 (CH) | 47.6 |
| 10 (CH2) | 39.8 |
| 11 (C) | 34 |
| 12 (CH3) | 29.8 |
| 13 (CH3) | 21.7 |
| 14 (CH3) | 11.4 |
| 15 (CH2) | 113.2 |
