Spektraris NMR
α-Hydroxi-cleistanta-8,11,13-trien-7-ona
Common Name: α-Hydroxi-cleistanta-8,11,13-trien-7-ona
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-6-13-12(2)8-9-14-15(13)16(21)17(22)18-19(3,4)10-7-11-20(14,18)5/h8-9,17-18,22H,6-7,10-11H2,1-5H3/t17-,18-,20+/m0/s1
InChIKey: InChIKey=FLRPFCJRVOJXCJ-CMKODMSKSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Silva, G.C.d., Valente, L.M.M., Patitucci, M.L., Pint, A.d.C. Quim Nova (2001) 24, 619-25
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) | 39.4 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 42.8 |
| 4 (C) | 34.1 |
| 5 (CH) | 55.7 |
| 6 (CH) | 74.6 |
| 7 (C) | 201.2 |
| 8 (C) | 127 |
| 9 (C) | 154.7 |
| 10 (C) | 39.5 |
| 11 (CH) | 121.4 |
| 12 (CH) | 135.6 |
| 13 (C) | 135.4 |
| 14 (C) | 145.4 |
| 15 (CH2) | 23.8 |
| 16 (CH3) | 14 |
| 17 (CH3) | 19.1 |
| 18 (CH3) | 35.6 |
| 19 (CH3) | 22 |
| 20 (CH3) | 25.3 |
