Spektraris NMR
Isosarcotrine F
Common Name: Isosarcotrine F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H39NO6/c1-18(10-6-12-20(3)14-23(29)26(33)21(4)28)8-5-9-19(2)11-7-13-22-15-24(30)27(16-22)17-25(31)32/h5,8-9,12,15,18,23,26,29,33H,6-7,10-11,13-14,16-17H2,1-4H3,(H,31,32)/b8-5+,19-9+,20-12-/t18-,23?,26?/m1/s1
InChIKey: InChIKey=YLWWSDVSVMNCNP-YCBNFPFOSA-N
Formula: C26H39N1O6
Molecular Weight: 461.591995
Exact Mass: 461.277738
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) | 173.6 |
| 2 (CH) | 121.8 |
| 3 (C) | 136 |
| 4 (CH2) | 55.8 |
| 5 (CH2) | 29.5 |
| 6 (CH2) | 27 |
| 7 (CH2) | 40.2 |
| 8 (C) | 136 |
| 9 (CH3) | 16.3 |
| 10 (CH) | 126.4 |
| 11 (CH) | 126.6 |
| 12 (CH) | 139.5 |
| 13 (CH) | 38.1 |
| 14 (CH3) | 21.3 |
| 15 (CH2) | 38.3 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 129.6 |
| 18 (C) | 132.5 |
| 19 (CH3) | 24.3 |
| 20 (CH2) | 35.9 |
| 21 (CH) | 71.9 |
| 22 (CH) | 80.3 |
| 23 (C) | 212.3 |
| 24 (CH3) | 25.6 |
| 1' (CH2) | 46.8 |
| 2' (C) | 174 |
