Spektraris NMR
Sarcotin I
Common Name: Sarcotin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4.Na/c1-17(9-5-11-19(3)15-21(23)22(24)25)7-4-8-18(2)10-6-12-20-13-14-26-16-20;/h4,7-8,11,13-14,16-17,21,23H,5-6,9-10,12,15H2,1-3H3,(H,24,25);/q;+1/p-1/b7-4+,18-8+,19-11-;/t17-,21?;/m1./s1
InChIKey: InChIKey=UNRMHKZMQXKKAP-JBQANULMSA-M
Formula: C22H33N1O4
Molecular Weight: 375.502597
Exact Mass: 375.240959
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liu, Y., Hong, J., Lee, C.O., Im, K.S., Kim, N.D., Choi, J.S., Jung, J.H. J Nat Prod (2002) 65, 1307-14
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 (CH) | 144.1 |
| 2 (CH) | 111.9 |
| 3 (C) | 126.4 |
| 4 (CH) | 140.1 |
| 5 (CH2) | 25.2 |
| 6 (CH2) | 29.4 |
| 7 (CH2) | 40.3 |
| 8 (C) | 136.7 |
| 9 (CH3) | 16.5 |
| 10 (CH) | 126.4 |
| 11 (CH) | 126.7 |
| 12 (CH) | 139.1 |
| 13 (CH) | 38 |
| 14 (CH3) | 21.3 |
| 15 (CH2) | 38.5 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 129.7 |
| 18 (C) | 131.9 |
| 19 (CH2) | 24.8 |
| 20 (CH3) | 37.9 |
| 21 (CH) | 70.7 |
| 22 (C) | 177.8 |
