Spektraris NMR
Jaborosalactone 27
Common Name: Jaborosalactone 27
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O8/c1-14-12-27(35-22(31)15(14)2)16(3)25(32)10-8-18-17-11-21(30)26(33)9-6-7-20(29)23(26,4)19(17)13-28(34,36-27)24(18,25)5/h6-7,16-19,21,30,32-34H,8-13H2,1-5H3/t16-,17-,18-,19-,21+,23-,24-,25+,26-,27+,28-/m0/s1
InChIKey: InChIKey=PMNDUEXLEMOCBZ-FSCAMBMGSA-N
Formula: C28H38O8
Molecular Weight: 502.597593
Exact Mass: 502.256668
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nicotra, V.E., Ramacciotti, N.S., Gil, R.R., Oberti, J.C., Feresin, G.E., Guerrero, C.A., Baggio, R.F., Garland, M.T., Burton, G. J Nat Prod (2006) 69, 783-9
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 |
| 2 (CH) | 128.6 |
| 3 (CH) | 141.5 |
| 4 (CH2) | 35.7 |
| 5 (C) | 77.3 |
| 6 (CH) | 73.9 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 29.4 |
| 9 (CH) | 38.4 |
| 10 (C) | 51.8 |
| 11 (CH2) | 37 |
| 12 (C) | 100.2 |
| 13 (C) | 48.1 |
| 14 (CH) | 47.3 |
| 15 (CH2) | 22 |
| 16 (CH2) | 34.2 |
| 17 (C) | 79.1 |
| 18 (CH3) | 12.5 |
| 19 (CH3) | 15.5 |
| 20 (CH) | 40.7 |
| 21 (CH3) | 10.1 |
| 22 (C) | 103.9 |
| 23 (CH2) | 39.2 |
| 24 (C) | 147.9 |
| 25 (C) | 120.1 |
| 26 (C) | 165.3 |
| 27 (CH3) | 12.1 |
| 28 (CH3) | 20.5 |
