Spektraris NMR
sarcotragin A
Common Name: sarcotragin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H43NO4/c1-24(13-9-15-26(3)23-29(33)31(35)36-4)11-8-12-25(2)14-10-18-28-20-22-32(30(28)34)21-19-27-16-6-5-7-17-27/h5-8,11-12,15-17,20,24,29,33H,9-10,13-14,18-19,21-23H2,1-4H3/b11-8+,25-12+,26-15-/t24-,29?/m1/s1
InChIKey: InChIKey=DQZJPKYNSKJWBF-VXXURDRTSA-N
Formula: C31H43N1O4
Molecular Weight: 493.678628
Exact Mass: 493.319209
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Shin, J., Rho, J.-R., Seo, Y., Lee, H.-S., Choa, K.W., Simb, C.J. Tetrahedron Lett (2001) 42, 3005-7
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) | 52.9 |
| 2 (CH) | 137.6 |
| 3 (C) | 140.3 |
| 4 (C) | 173.7 |
| 5 (CH2) | 26.3 |
| 6 (CH2) | 27 |
| 7 (CH2) | 40.3 |
| 8 (C) | 136.5 |
| 9 (CH3) | 16.4 |
| 10 (CH) | 126.7 |
| 11 (CH) | 126.5 |
| 12 (CH) | 139.1 |
| 13 (CH) | 38 |
| 14 (CH3) | 21.4 |
| 15 (CH2) | 38.5 |
| 16 (CH2) | 26.9 |
| 17 (CH) | 129.7 |
| 18 (C) | 131.7 |
| 19 (CH3) | 24 |
| 20 (CH2) | 38.1 |
| 21 (CH) | 71 |
| 22 (C) | 176.2 |
| 1' (CH2) | 45.1 |
| 2' (CH2) | 35.7 |
| 3' (C) | 140.2 |
| 4' (CH) | 129.7 |
| 5' (CH) | 129.8 |
| 6' (CH) | 127.5 |
| 7' (CH) | 129.8 |
| 8' (CH) | 129.7 |
| 22a (CH3) | 52.4 |
