Spektraris NMR
1 I-Episcutecolumnin C
Common Name: 1 I-Episcutecolumnin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-11-6-17(27-12(2)23)22-15(8-14(28-19(22)24)9-21(22)10-26-21)20(11,3)16-7-13-4-5-25-18(13)29-16/h11,13-19,24H,4-10H2,1-3H3/t11-,13-,14+,15-,16-,17+,18+,19+,20+,21+,22+/m1/s1
InChIKey: InChIKey=LHQJJZZDFOZOIO-RSXXQVROSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Deltchev, V.B. Phytochemistry (1998) 49, 811-5
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) | 28.7 |
| 2 (CH) | 66.5 |
| 3 (CH2) | 36.5 |
| 4 (C) | 60.6 |
| 5 (C) | 42.4 |
| 6 (CH) | 69.1 |
| 7 (CH2) | 31.1 |
| 8 (CH) | 34.5 |
| 9 (C) | 41.4 |
| 10 (CH) | 41.2 |
| 11 (CH) | 83.4 |
| 12 (CH2) | 32.2 |
| 13 (CH) | 42.5 |
| 14 (CH2) | 33.4 |
| 15 (CH2) | 66.1 |
| 16 (CH) | 107.7 |
| 17 (CH3) | 17.3 |
| 18 (CH2) | 49.6 |
| 19 (CH) | 93 |
| 20 (CH3) | 12.2 |
| 6a (C) | 169.1 |
| 6b (CH3) | 21.3 |
