Spektraris NMR
Jaborosalactone W
Common Name: Jaborosalactone W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O6/c1-15-11-22(33-25(32)18(15)13-29)16(2)19-6-7-20-17-12-24-28(34-24)9-4-5-23(31)27(28,14-30)21(17)8-10-26(19,20)3/h16-17,19-22,24,29-30H,4-14H2,1-3H3/t16-,17-,19+,20-,21-,22+,24+,26+,27-,28+/m0/s1
InChIKey: InChIKey=WAIYUACUVYTYRA-GOXWLBPLSA-N
Formula: C28H40O6
Molecular Weight: 472.614665
Exact Mass: 472.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Misico, R.I., Oberti, J.C., Veleiro, A.S., Burton, G. J Nat Prod (1996) 59, 66-8
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) | 211 |
| 2 (CH2) | 31.2 |
| 3 (CH2) | 18 |
| 4 (CH2) | 35.6 |
| 5 (C) | 64.3 |
| 6 (CH) | 59.3 |
| 7 (CH2) | 31.3 |
| 8 (CH) | 30.5 |
| 9 (CH) | 42.7 |
| 10 (C) | 56.1 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 39.4 |
| 13 (C) | 42.8 |
| 14 (CH) | 56.6 |
| 15 (CH2) | 22.7 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 51.9 |
| 18 (CH3) | 11.6 |
| 19 (CH2) | 62.8 |
| 20 (CH) | 38.8 |
| 21 (CH3) | 13.3 |
| 22 (CH) | 78.8 |
| 23 (CH2) | 29.9 |
| 24 (C) | 152.7 |
| 25 (C) | 125.8 |
| 26 (C) | 167 |
| 27 (CH2) | 57.5 |
| 28 (CH3) | 20 |
