Spektraris NMR
16-Acetylfuroscalarol
Common Name: 16-Acetylfuroscalarol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H42O5/c1-17(30)33-20-15-23-28(6)13-9-21-26(3,4)11-8-12-27(21,5)22(28)16-24(34-18(2)31)29(23,7)25-19(20)10-14-32-25/h10,14,20-24H,8-9,11-13,15-16H2,1-7H3/t20-,21-,22+,23-,24-,27-,28+,29+/m0/s1
InChIKey: InChIKey=FXLCXBOEPZYBNJ-HQJDUYTCSA-N
Formula: C29H42O5
Molecular Weight: 470.641877
Exact Mass: 470.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rueda, A., Zubia, E., Ortega, M.J., Carballo, J.L., Salva, J. J Org Chem (1997) 62, 1481-5
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 39.6 |
| 2 (CH2) | 18 |
| 3 (CH2) | 41.3 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 41.9 |
| 8 (C) | 36.9 |
| 9 (CH) | 53 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.7 |
| 12 (CH) | 73.2 |
| 13 (C) | 40.6 |
| 14 (CH) | 49.7 |
| 15 (CH2) | 24.9 |
| 16 (CH) | 69.1 |
| 17 (C) | 116.4 |
| 18 (C) | 158.2 |
| 19 (CH) | 141.3 |
| 20 (CH) | 108.5 |
| 21 (CH3) | 33.2 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 17.2 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 21.9 |
| 12a (C) | 170.2 |
| 12b (CH3) | 21.2 |
| 16a (C) | 171.2 |
| 16b (CH3) | 21.4 |
