Spektraris NMR
Jaborosalactone 7
Common Name: Jaborosalactone 7
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O6/c1-14-11-23(33-25(31)19(14)13-28)15(2)27(32)10-8-20-18-12-22(30)17-5-4-6-21(29)24(17)16(18)7-9-26(20,27)3/h4-6,15-16,18,20,22-23,28-30,32H,7-13H2,1-3H3/t15-,16+,18-,20+,22-,23-,26+,27+/m1/s1
InChIKey: InChIKey=WMHZILJKCNQICC-SCEFFUSOSA-N
Formula: C27H36O6
Molecular Weight: 456.572166
Exact Mass: 456.251189
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) | 154.7 |
| 2 (CH) | 115.6 |
| 3 (CH) | 127.1 |
| 4 (CH) | 123.1 |
| 5 (C) | 140.6 |
| 6 (CH) | 68.1 |
| 7 (CH2) | 34.3 |
| 8 (CH) | 29.9 |
| 9 (CH) | 33 |
| 10 (C) | 126.7 |
| 11 (CH2) | 25.5 |
| 12 (CH2) | 33.3 |
| 13 (C) | 44.1 |
| 14 (CH) | 48.9 |
| 15 (CH2) | 23.2 |
| 16 (CH2) | 36.8 |
| 17 (C) | 85.1 |
| 18 (CH3) | 15.5 |
| 20 (CH) | 42.8 |
| 21 (CH3) | 9.4 |
| 22 (CH) | 79.3 |
| 23 (CH2) | 33 |
| 24 (C) | 154.2 |
| 25 (C) | 125.2 |
| 26 (C) | 167.1 |
| 27 (CH2) | 57.5 |
| 28 (CH3) | 20 |
