Spektraris NMR
Jaborosalactone 8
Common Name: Jaborosalactone 8
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-15-13-20(35-23(31)16(15)2)17(3)26(32)11-12-27(33)19-14-22(30)28(34)9-6-7-21(29)25(28,5)18(19)8-10-24(26,27)4/h6-7,17-20,22,30,32-34H,8-14H2,1-5H3/t17-,18+,19-,20-,22-,24-,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=BRUVTAOWMQDMJB-ILCNGVLRSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Misico, R.I., Veleiro, A.S., Burton, G., Oberti, J.C. Phytochemistry (1997) 45, 1045-8
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) | 205.3 |
| 2 (CH) | 128.2 |
| 3 (CH) | 142.2 |
| 4 (CH2) | 35.5 |
| 5 (C) | 77.3 |
| 6 (CH) | 74 |
| 7 (CH2) | 29.7 |
| 8 (CH) | 35 |
| 9 (CH) | 36.8 |
| 10 (C) | 51.9 |
| 11 (CH2) | 22.2 |
| 12 (CH2) | 27.4 |
| 13 (C) | 50.7 |
| 14 (C) | 88 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 36.9 |
| 17 (C) | 88.1 |
| 18 (CH3) | 14.9 |
| 19 (CH3) | 15.5 |
| 20 (CH) | 41.6 |
| 21 (CH3) | 9.3 |
| 22 (CH) | 77.5 |
| 23 (CH2) | 32.7 |
| 24 (C) | 151.4 |
| 25 (C) | 121.1 |
| 26 (C) | 167.9 |
| 27 (CH3) | 12.2 |
| 28 (CH3) | 20.4 |
