Spektraris NMR
12-O-Desacetylfuroscalar-16-one
Common Name: 12-O-Desacetylfuroscalar-16-one
Synonyms: 12-O-Desacetylfuroscalar-16-one
CAS Registry Number:
InChI: InChI=1S/C25H36O3/c1-22(2)9-6-10-23(3)17(22)7-11-24(4)18(23)14-20(27)25(5)19(24)13-16(26)15-8-12-28-21(15)25/h8,12,17-20,27H,6-7,9-11,13-14H2,1-5H3/t17-,18+,19-,20-,23-,24+,25+/m0/s1
InChIKey: InChIKey=IWYCBPAEAMVQSX-QHAPXMKLSA-N
Formula: C25H36O3
Molecular Weight: 384.552479
Exact Mass: 384.266445
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cambie, R.C., Rutledge, P.S., Yang, X.S., Bergquist, P.R. J Nat Prod (1998) 61, 1416-7
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) | 18.5 |
| 3 (CH2) | 41.9 |
| 4 (C) | 29.7 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18 |
| 7 (CH2) | 41 |
| 8 (C) | 37 |
| 9 (CH) | 51.5 |
| 10 (C) | 37.6 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 70.8 |
| 13 (C) | 43.3 |
| 14 (CH) | 49.4 |
| 15 (CH2) | 34.7 |
| 16 (C) | 194.5 |
| 17 (C) | 120.5 |
| 18 (C) | 173.4 |
| 19 (CH) | 142.6 |
| 20 (CH) | 106.6 |
| 21 (CH3) | 33.3 |
| 22 (CH3) | 21.3 |
| 23 (CH3) | 16.2 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 20.4 |
