Spektraris NMR
Coagulin G
Common Name: Coagulin G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5,7-8,19-20,22,29,32H,6,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26+,27+,28-/m0/s1
InChIKey: InChIKey=URTUKEVJVQZVBR-NIPFBDEWSA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Atta-ur-Rahman, A., Choudhary, M.I., Qureshi, S., Gul, W., Yousaf, M. J Nat Prod (1998) 61, 812-4
Species:
Notes: Family : Steroids, Type : Ergostanes, Group : Withanolides; 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) | 204.1 |
| 2 (CH) | 128 |
| 3 (CH) | 145.1 |
| 4 (CH2) | 33.2 |
| 5 (C) | 136.5 |
| 6 (CH) | 124.4 |
| 7 (CH2) | 32.9 |
| 8 (CH) | 36.1 |
| 9 (CH) | 36.2 |
| 10 (C) | 50 |
| 11 (CH2) | 22.9 |
| 12 (CH2) | 26.6 |
| 13 (C) | 50.7 |
| 14 (C) | 88 |
| 15 (CH2) | 29.5 |
| 16 (CH2) | 31.8 |
| 17 (C) | 79.1 |
| 18 (CH3) | 18.9 |
| 19 (CH3) | 14 |
| 20 (C) | 76.4 |
| 21 (CH3) | 19.4 |
| 22 (CH) | 81.4 |
| 23 (CH2) | 29.6 |
| 24 (C) | 155 |
| 25 (C) | 124.5 |
| 26 (C) | 166.3 |
| 27 (CH2) | 57.5 |
| 28 (CH3) | 20.5 |
