Spektraris NMR
Sarcotrine E
Common Name: Sarcotrine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H37NO6/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30/h5,8-9,12,14,18,23,31H,6-7,10-11,13,15-17H2,1-4H3,(H,29,30)/b8-5+,19-9+,20-12-/t18-,23-/m1/s1
InChIKey: InChIKey=CZBZSZPLMKKWSY-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 (CH2) | 53.1 |
| 2 (CH) | 137.7 |
| 3 (C) | 140 |
| 4 (C) | 172.9 |
| 5 (CH2) | 26.3 |
| 6 (CH2) | 27.1 |
| 7 (CH2) | 40.5 |
| 8 (C) | 136.5 |
| 9 (CH3) | 16.5 |
| 10 (CH) | 126.3 |
| 11 (CH) | 126.7 |
| 12 (CH) | 139.4 |
| 13 (CH) | 38 |
| 14 (CH3) | 21.2 |
| 15 (CH2) | 38.5 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 128.9 |
| 18 (C) | 132.6 |
| 19 (CH3) | 24.3 |
| 20 (CH2) | 36.1 |
| 21 (CH) | 81.4 |
| 22 (C) | 187.1 |
| 23 (C) | 88.4 |
| 24 (C) | 193.2 |
| 25 (CH3) | 6 |
| 1' (CH2) | 47.1 |
| 2' (C) | 176.3 |
