Spektraris NMR
Isosarcotrine E
Common Name: Isosarcotrine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H37NO6/c1-18(10-6-12-20(3)14-23-26(32)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-15-24(29)28(16-22)17-25(30)31/h5,8-9,12,15,18,23,32H,6-7,10-11,13-14,16-17H2,1-4H3,(H,30,31)/b8-5+,19-9+,20-12-/t18-,23-/m1/s1
InChIKey: InChIKey=GZHXQPSGANVHML-CNGQNWGCSA-N
Formula: C27H37N1O6
Molecular Weight: 471.58685
Exact Mass: 471.262088
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, Y., Mansoor, T.A., Hong, J., Lee, C.O., Sim, C.J., Im, K.S., Kim, N.D., Jung, J.H. J Nat Prod (2003) 66, 1451-6
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Acyclics; 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 (C) | 173.8 |
| 2 (CH) | 121.8 |
| 3 (C) | 136.5 |
| 4 (CH2) | 55.8 |
| 5 (CH2) | 29.8 |
| 6 (CH2) | 27 |
| 7 (CH2) | 40.2 |
| 8 (C) | 136 |
| 9 (CH3) | 16.4 |
| 10 (CH) | 126.5 |
| 11 (CH) | 127 |
| 12 (CH) | 140.2 |
| 13 (CH) | 38 |
| 14 (CH3) | 21.5 |
| 15 (CH2) | 38.5 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 128.9 |
| 18 (C) | 132.7 |
| 19 (CH3) | 24.3 |
| 20 (CH2) | 36.1 |
| 21 (CH) | 81.4 |
| 22 (C) | 183.6 |
| 23 (C) | 88 |
| 24 (C) | 193.2 |
| 25 (CH3) | 6 |
| 1' (CH2) | 47 |
| 2' (C) | 174 |
