Spektraris NMR
Indicol
Common Name: Indicol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-10(2)12-8-13-16(4)9-19(22)17(12,5)20(13,23)15(24-19)14-11(3)6-7-18(14,16)21/h10-15,21-23H,6-9H2,1-5H3/t11-,12+,13+,14+,15-,16-,17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=YDKWKCQTFWTPEG-FCWXTNMASA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fraga, B.M., Gonzalez Coloma, A., Gutierrez, C., Terrero, D. J Nat Prod (1997) 60, 880-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isoryanodanes; 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 (CH) | 53.2 |
| 2 (CH) | 35.7 |
| 3 (CH2) | 34.4 |
| 4 (CH2) | 37.5 |
| 5 (C) | 87.6 |
| 6 (CH) | 75.8 |
| 7 (C) | 89.4 |
| 8 (CH) | 47.9 |
| 9 (C) | 41.7 |
| 10 (CH2) | 41.8 |
| 11 (C) | 106.7 |
| 12 (C) | 56.5 |
| 13 (CH) | 45.8 |
| 14 (CH2) | 26 |
| 15 (CH3) | 15.1 |
| 16 (CH3) | 18.5 |
| 17 (CH3) | 8.2 |
| 18 (CH) | 28.6 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 23.7 |
