Spektraris NMR
Jaborosalactone 31
Common Name: Jaborosalactone 31
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O7/c1-13-14(2)23(32)35-28-12-18-16(11-20(30)27(34)9-6-7-19(29)24(18,27)4)17-8-10-26(33,25(17,28)5)15(3)22(31)21(13)28/h6-7,15-18,20-21,30,33-34H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21+,24+,25+,26-,27+,28+/m1/s1
InChIKey: InChIKey=YMNXFTUYIKXAPW-UGAJVUOVSA-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) | 203.8 |
| 2 (CH) | 128.3 |
| 3 (CH) | 141.4 |
| 4 (CH2) | 35.8 |
| 5 (C) | 77.2 |
| 6 (CH) | 73.8 |
| 7 (CH2) | 32.4 |
| 8 (CH) | 30.5 |
| 9 (CH) | 39 |
| 10 (C) | 51.5 |
| 11 (CH2) | 32.2 |
| 12 (C) | 89.6 |
| 13 (C) | 50.3 |
| 14 (CH) | 48.5 |
| 15 (CH2) | 22.7 |
| 16 (CH2) | 34.7 |
| 17 (C) | 88.4 |
| 18 (CH3) | 11.7 |
| 19 (CH3) | 15.3 |
| 20 (CH) | 51 |
| 21 (CH3) | 7.2 |
| 22 (C) | 207.7 |
| 23 (CH) | 54.8 |
| 24 (C) | 123.2 |
| 25 (C) | 146.7 |
| 26 (C) | 165.4 |
| 27 (CH3) | 12.3 |
| 28 (CH3) | 21.2 |
