Spektraris NMR
Jaborosalactone 32
Common Name: Jaborosalactone 32
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-13-14(2)23(30)33-21(13)22-15(3)26(31)10-8-17-16-11-20-27(34-20)9-6-7-19(29)24(27,4)18(16)12-28(32,35-22)25(17,26)5/h6-7,15-18,20-22,31-32H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21?,22+,24+,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=MFPJMEIBOYFMKC-DYAASCTHSA-N
Formula: C28H36O7
Molecular Weight: 484.582307
Exact Mass: 484.246104
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) | 202.6 |
| 2 (CH) | 129.5 |
| 3 (CH) | 144.2 |
| 4 (CH2) | 32.7 |
| 5 (C) | 61.9 |
| 6 (CH) | 63.1 |
| 7 (CH2) | 30.2 |
| 8 (CH) | 29.4 |
| 9 (CH) | 41.9 |
| 10 (C) | 47.1 |
| 11 (CH2) | 36.6 |
| 12 (C) | 99.3 |
| 13 (C) | 47.9 |
| 14 (CH) | 46.1 |
| 15 (CH2) | 22.7 |
| 16 (CH2) | 33.9 |
| 17 (C) | 80.6 |
| 18 (CH3) | 9.9 |
| 19 (CH3) | 14.8 |
| 20 (CH) | 35.7 |
| 21 (CH3) | 11.9 |
| 22 (CH) | 70.9 |
| 23 (CH) | 86 |
| 24 (C) | 158.2 |
| 25 (C) | 124.1 |
| 26 (C) | 174.8 |
| 27 (CH3) | 8.4 |
| 28 (CH3) | 13.4 |
