Spektraris NMR
Scutebarbatines K
Common Name: Scutebarbatines K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H33NO7/c1-17-8-6-10-21-26(3,12-11-19-14-22(31)34-16-19)28(5,33)24(35-18(2)30)23(27(17,21)4)36-25(32)20-9-7-13-29-15-20/h7-9,11-15,21,23-24,33H,6,10,16H2,1-5H3/b12-11+/t21-,23+,24+,26-,27+,28+/m1/s1
InChIKey: InChIKey=ZAAJNCSDZGGPSE-GNSXTQCCSA-N
Formula: C28H33N1O7
Molecular Weight: 495.565228
Exact Mass: 495.225702
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, S.J., Liang, D.D., Ren, Y., Liu, K., Shen, L. Chem Pharm Bull (2008) 56, 207-9
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) | 19.2 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 123.4 |
| 4 (C) | 140.6 |
| 5 (C) | 43.3 |
| 6 (CH) | 75.4 |
| 7 (CH) | 76.4 |
| 8 (C) | 77.2 |
| 9 (C) | 48.1 |
| 10 (CH) | 42.7 |
| 11 (CH) | 146.7 |
| 12 (CH) | 121.9 |
| 13 (C) | 162 |
| 14 (CH) | 115.1 |
| 15 (C) | 173.9 |
| 16 (CH2) | 70.7 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 17.4 |
| 20 (CH3) | 15.3 |
| 1' (C) | 164.6 |
| 2' (C) | 126.2 |
| 3' (CH) | 150.9 |
| 5' (CH) | 153.7 |
| 6' (CH) | 123.6 |
| 7' (CH) | 137.1 |
| 7a (C) | 170 |
| 7b (CH3) | 20.5 |
