Spektraris NMR
Scutebarbatines L
Common Name: Scutebarbatines L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H41NO9/c1-19(2)26(41-21(4)35)30(38)43-28-27(42-29(37)23-11-9-15-34-17-23)32(6)20(3)10-8-12-24(32)31(5,33(28,7)39)14-13-22-16-25(36)40-18-22/h9-11,13-17,19,24,26-28,39H,8,12,18H2,1-7H3/b14-13+/t24-,26?,27+,28+,31-,32+,33+/m1/s1
InChIKey: InChIKey=QLQRVRCHRRIMMB-ZDYHSNSLSA-N
Formula: C33H41N1O9
Molecular Weight: 595.681243
Exact Mass: 595.278132
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) | 123.5 |
| 4 (C) | 140.6 |
| 5 (C) | 43.3 |
| 6 (CH) | 75.2 |
| 7 (CH) | 77.1 |
| 8 (C) | 77.3 |
| 9 (C) | 48.1 |
| 10 (CH) | 42.6 |
| 11 (CH) | 146.6 |
| 12 (CH) | 121.8 |
| 13 (C) | 161.9 |
| 14 (CH) | 115 |
| 15 (C) | 173.8 |
| 16 (CH2) | 70.5 |
| 17 (CH3) | 22.7 |
| 18 (CH3) | 20.1 |
| 19 (CH3) | 17.3 |
| 20 (CH3) | 15.5 |
| 1' (C) | 164.3 |
| 2' (C) | 126.3 |
| 3' (CH) | 151 |
| 5' (CH) | 153.4 |
| 6' (CH) | 123.2 |
| 7' (CH) | 137.1 |
| 1'' (C) | 168.7 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 29.1 |
| 4'' (CH3) | 16.1 |
| 2''a (C) | 171.8 |
| 2''b (CH3) | 20.6 |
| 3''a (CH3) | 18.7 |
