Spektraris NMR
Isoscoparin C
Common Name: Isoscoparin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-13(12-18(22)23)11-17(21)20(5)15(3)9-10-19(4)14(2)7-6-8-16(19)20/h7,12,15-17,21H,6,8-11H2,1-5H3,(H,22,23)/b13-12-/t15-,16+,17-,19+,20+/m1/s1
InChIKey: InChIKey=AYRMPPMTOCHJTL-UTBQRZPCSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Xiang, W., Li, R.T., Song, Q.S., Na, Z., Sun, H.D. Helv Chim Acta (2004) 87, 2860-5
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) | 26.4 |
| 2 (CH2) | 20.1 |
| 3 (CH) | 121.1 |
| 4 (C) | 143.6 |
| 5 (C) | 38.7 |
| 6 (CH2) | 36.7 |
| 7 (CH2) | 28 |
| 8 (CH) | 36.9 |
| 9 (C) | 42.6 |
| 10 (CH) | 46.9 |
| 11 (CH) | 84.2 |
| 12 (CH2) | 29.9 |
| 13 (C) | 159 |
| 14 (CH) | 116.7 |
| 15 (C) | 165.4 |
| 16 (CH3) | 22.7 |
| 17 (CH3) | 16.6 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 19.9 |
| 20 (CH3) | 14.1 |
