Spektraris NMR
3-Hydroxycacalolide
Common Name: 3-Hydroxycacalolide
Synonyms: 3-Hydroxycacalolide
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-7-5-4-6-9-10(7)8(2)11-13(12(9)16)19-14(17)15(11,3)18/h7,16,18H,4-6H2,1-3H3/t7-,15+/m0/s1
InChIKey: InChIKey=PEUSPOKFWAPKRH-NZFNHWASSA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Inman, W.D., Luo, J., Jolad, S.D., King, S.R., Cooper, R. J Nat Prod (1999) 62, 1088-92
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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 (CH2) | 23 |
| 2 (CH2) | 16.1 |
| 3 (CH2) | 29.4 |
| 4 (CH) | 28.6 |
| 5 (C) | 138.5 |
| 6 (C) | 124.8 |
| 7 (C) | 124.5 |
| 8 (C) | 136.8 |
| 9 (C) | 135.5 |
| 10 (C) | 126.6 |
| 11 (C) | 74.5 |
| 12 (C) | 178 |
| 13 (CH3) | 24.6 |
| 14 (CH3) | 12.6 |
| 15 (CH3) | 20.8 |
