Spektraris NMR
2,3-Dihidrosalpichrolide A
Common Name: 2,3-Dihidrosalpichrolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O5/c1-15(21-14-25(2)27(4,33-25)24(30)31-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(32-23)11-5-6-22(29)26(20,28)3/h7,9,12,15,19-21,23-24,30H,5-6,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21?,23-,24+,25-,26-,27+,28-/m0/s1
InChIKey: InChIKey=VWXSSDIPKAIIGD-QLADXRPYSA-N
Formula: C28H36O5
Molecular Weight: 452.583497
Exact Mass: 452.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mareggiani, G., Picollo, M.I., Zerba, E., Burton, G., Tettamanzi, M.C., Benedetti-Doctorovich, M.O., Veleiro, A.S. J Nat Prod (2000) 63, 1113-6
Species:
Notes: Family : Steroids, Type : Abeo-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) | 212 |
| 2 (CH2) | 28.9 |
| 3 (CH2) | 22.8 |
| 4 (CH2) | 38 |
| 5 (C) | 64.8 |
| 6 (CH) | 59.9 |
| 7 (CH2) | 30.5 |
| 8 (CH) | 32.4 |
| 9 (CH) | 35.6 |
| 10 (C) | 52.2 |
| 11 (CH2) | 25 |
| 12 (CH2) | 30.3 |
| 13 (C) | 138.1 |
| 14 (C) | 136.8 |
| 15 (CH) | 125.5 |
| 16 (CH) | 126.4 |
| 17 (C) | 140.3 |
| 18 (CH) | 128.7 |
| 19 (CH3) | 15.7 |
| 20 (CH) | 42.9 |
| 21 (CH3) | 17.1 |
| 22 (CH) | 67.4 |
| 23 (CH2) | 33.6 |
| 24 (C) | 64.8 |
| 25 (C) | 63.6 |
| 26 (CH) | 91.7 |
| 27 (CH3) | 16.5 |
| 28 (CH3) | 18.3 |
