Spektraris NMR
Sinugibberol
Common Name: Sinugibberol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-14-7-6-11-19(4)17(23-19)13-15(18(2,3)21)10-12-20(5)16(22-20)9-8-14/h7,13,16-17,21H,6,8-12H2,1-5H3/b14-7+,15-13+/t16-,17+,19-,20-/m1/s1
InChIKey: InChIKey=TWVBIVWLBIJJLR-SALCPGNUSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hou, R.S., Duh, C.Y., Chiang, M.Y., Lin, C.N. J Nat Prod (1995) 58, 1126-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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 (C) | 150.9 |
| 2 (CH) | 125.8 |
| 3 (CH) | 59.3 |
| 4 (C) | 61.7 |
| 5 (CH2) | 36.8 |
| 6 (CH2) | 26 |
| 7 (CH) | 121.2 |
| 8 (C) | 134.9 |
| 9 (CH2) | 40.2 |
| 10 (CH2) | 29.7 |
| 11 (CH) | 62.1 |
| 12 (C) | 61.2 |
| 13 (CH2) | 38 |
| 14 (CH2) | 29.7 |
| 15 (C) | 73.4 |
| 16 (CH3) | 24.5 |
| 17 (CH3) | 22.3 |
| 18 (CH3) | 18 |
| 19 (CH3) | 14.7 |
| 20 (CH3) | 16.1 |
