Spektraris NMR
Exodeconolide A
Common Name: Exodeconolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O6/c1-13-11-19(33-25(31)14(13)2)15(3)22-18(29)12-17-21-16(8-10-26(17,22)4)27(5)20(30)7-6-9-28(27,32)24-23(21)34-24/h6-7,16-19,21,23-24,29,32H,8-12H2,1-5H3/b22-15+/t16-,17-,18-,19+,21+,23-,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=YARITIRBZOEIHO-PLYJTDRGSA-N
Formula: C28H36O6
Molecular Weight: 468.582902
Exact Mass: 468.251189
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gil, R.R., Misico, R.I., Sotes, I.R., Oberti, J.C., Veleiro, A.S., Burton, G. J Nat Prod (1997) 60, 568-72
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) | 202.9 |
| 2 (CH) | 128.9 |
| 3 (CH) | 139.7 |
| 4 (CH2) | 36.7 |
| 5 (C) | 73.2 |
| 6 (CH) | 56.3 |
| 7 (CH) | 56.8 |
| 8 (CH) | 35 |
| 9 (CH) | 35.4 |
| 10 (C) | 51 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 37.3 |
| 13 (C) | 45 |
| 14 (CH) | 47.1 |
| 15 (CH2) | 34.2 |
| 16 (CH) | 72 |
| 17 (C) | 153.1 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 14.6 |
| 20 (C) | 127.5 |
| 21 (CH3) | 12.8 |
| 22 (CH) | 76.7 |
| 23 (CH2) | 33.7 |
| 24 (C) | 149.2 |
| 25 (C) | 122 |
| 26 (C) | 166.7 |
| 27 (CH3) | 12.5 |
| 28 (CH3) | 20.3 |
