Spektraris NMR
Suberosol D
Common Name: Suberosol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H24O/c1-10-6-5-7-11(2)14(16)8-13-12(10)9-15(13,3)4/h7,12-14,16H,1,5-6,8-9H2,2-4H3/b11-7-/t12-,13-,14+/m1/s1
InChIKey: InChIKey=OIEGRICJBAVBOD-BMYQMPQMSA-N
Formula: C15H24O1
Molecular Weight: 220.351021
Exact Mass: 220.182715
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) | 47.4 |
| 2 (CH2) | 34.3 |
| 3 (CH) | 68 |
| 4 (C) | 137.4 |
| 5 (CH) | 126.8 |
| 6 (CH2) | 28.4 |
| 7 (CH2) | 34 |
| 8 (C) | 155.3 |
| 9 (CH) | 40.9 |
| 10 (CH2) | 40.5 |
| 11 (C) | 33.5 |
| 12 (CH3) | 29.9 |
| 13 (CH3) | 23 |
| 14 (CH3) | 16.3 |
| 15 (CH2) | 113.4 |
