Spektraris NMR
Scutebarbatine E
Common Name: Scutebarbatine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H33NO8/c1-20-24(35)12-13-25-31(2,15-14-21-17-26(36)40-19-21)33(4,39)28(42-29(37)22-9-6-5-7-10-22)27(32(20,25)3)41-30(38)23-11-8-16-34-18-23/h5-11,14-18,25,27-28,39H,1,12-13,19H2,2-4H3/b15-14+/t25-,27+,28+,31-,32+,33+/m1/s1
InChIKey: InChIKey=QIEGXQSSMCKBHF-OUMZYSQDSA-N
Formula: C33H33N1O8
Molecular Weight: 571.618312
Exact Mass: 571.220617
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, S.J., Chen, M., Liu, K., Jiang, Y.T., Shen, L. Chem Pharm Bull (2006) 54, 869-72
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) | 21.4 |
| 2 (CH2) | 40.1 |
| 3 (C) | 203.1 |
| 4 (C) | 153.8 |
| 5 (C) | 46.6 |
| 6 (CH) | 74.5 |
| 7 (CH) | 75.1 |
| 8 (C) | 77.3 |
| 9 (C) | 48.8 |
| 10 (CH) | 43.8 |
| 11 (CH) | 145.4 |
| 12 (CH) | 122.8 |
| 13 (C) | 162 |
| 14 (CH) | 116 |
| 15 (C) | 173.8 |
| 16 (CH2) | 70.8 |
| 17 (CH3) | 22.7 |
| 18 (CH2) | 114 |
| 19 (CH3) | 16.9 |
| 20 (CH3) | 15.8 |
| 1' (C) | 164.8 |
| 2' (C) | 125.7 |
| 3' (CH) | 150.8 |
| 5' (CH) | 153.6 |
| 6' (CH) | 123.5 |
| 7' (CH) | 137.2 |
| 1'' (C) | 165.9 |
| 2'' (C) | 128.7 |
| 3'' (CH) | 129.9 |
| 4'' (CH) | 128.6 |
| 5'' (CH) | 133.8 |
| 6'' (CH) | 128.6 |
| 7'' (CH) | 129.9 |
