Spektraris NMR
Heteroscyphol
Common Name: Heteroscyphol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O/c1-7-14(2)13-18(21)20(6)16(4)11-12-19(5)15(3)9-8-10-17(19)20/h7,9,13,16-18,21H,1,8,10-12H2,2-6H3/b14-13+/t16-,17+,18?,19+,20+/m0/s1
InChIKey: InChIKey=MUGLAALXCGTVKT-VGZLHCLCSA-N
Formula: C20H32O1
Molecular Weight: 288.468227
Exact Mass: 288.245316
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hashimoto, T., Nakamura, I., Tori, M., Takaoka, S., Asakawa, Y. Phytochemistry (1995) 38, 119-27
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 20.1 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 120.8 |
| 4 (C) | 143.9 |
| 5 (C) | 38.5 |
| 6 (CH2) | 36.2 |
| 7 (CH2) | 28.6 |
| 8 (CH) | 36 |
| 9 (C) | 46.8 |
| 10 (CH) | 46.8 |
| 11 (CH) | 74.9 |
| 12 (CH) | 132.6 |
| 13 (C) | 136.1 |
| 14 (CH) | 141.6 |
| 15 (CH2) | 112.7 |
| 16 (CH3) | 12.5 |
| 17 (CH3) | 16.7 |
| 18 (CH3) | 18.1 |
| 19 (CH3) | 19.6 |
| 20 (CH3) | 13.8 |
