Spektraris NMR
Exodeconolides C
Common Name: Exodeconolides C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O7/c1-13-11-18(34-24(31)14(13)2)15(3)28(33)20(30)12-17-21-16(8-10-25(17,28)4)26(5)19(29)7-6-9-27(26,32)23-22(21)35-23/h6-7,15-18,20-23,30,32-33H,8-12H2,1-5H3/t15-,16+,17+,18-,20-,21-,22+,23+,25+,26+,27+,28-/m1/s1
InChIKey: InChIKey=WWZWNFKARVGEKC-RABLHLSGSA-N
Formula: C28H38O7
Molecular Weight: 486.598188
Exact Mass: 486.261754
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) | 203 |
| 2 (CH) | 129 |
| 3 (CH) | 139.6 |
| 4 (CH2) | 36.7 |
| 5 (C) | 73.2 |
| 6 (CH) | 56.2 |
| 7 (CH) | 57 |
| 8 (CH) | 35 |
| 9 (CH) | 35.7 |
| 10 (C) | 50.9 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 33.2 |
| 13 (C) | 49.6 |
| 14 (CH) | 44.1 |
| 15 (CH2) | 34.7 |
| 16 (CH) | 75.6 |
| 17 (C) | 82.2 |
| 18 (CH3) | 14.86 |
| 19 (CH3) | 14.7 |
| 20 (CH) | 43.3 |
| 21 (CH3) | 10.5 |
| 22 (CH) | 77.8 |
| 23 (CH2) | 33.9 |
| 24 (C) | 150.6 |
| 25 (C) | 121.2 |
| 26 (C) | 167 |
| 27 (CH3) | 12.2 |
| 28 (CH3) | 20.6 |
