Spektraris NMR
Jaborosalactone M
Common Name: Jaborosalactone M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-15(18-14-23(3)25(5,35-23)21(30)33-18)26(31)11-12-27(32)17-13-20-28(34-20)9-6-7-19(29)24(28,4)16(17)8-10-22(26,27)2/h15-18,20,31-32H,6-14H2,1-5H3/t15-,16+,17-,18-,20-,22-,23+,24+,25-,26-,27+,28-/m1/s1
InChIKey: InChIKey=WLTKORLRHITMKS-CPWQNQIVSA-N
Formula: C28H40O7
Molecular Weight: 488.61407
Exact Mass: 488.277404
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Monteagudo, E.S., Burton, G., Gonzalez, C.M., Oberti, J.C., Gros, E.G. Phytochemistry (1988) 27, 3925-8
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) | 212.2 |
| 2 (CH2) | 30.8 |
| 3 (CH2) | 30.8 |
| 4 (CH2) | 36 |
| 5 (C) | 65.3 |
| 6 (CH) | 61.6 |
| 7 (CH2) | 25.9 |
| 8 (CH) | 40 |
| 9 (CH) | 38.7 |
| 10 (C) | 51.7 |
| 11 (CH2) | 19 |
| 12 (CH2) | 21.4 |
| 13 (C) | 50.3 |
| 14 (C) | 87.4 |
| 15 (CH2) | 30 |
| 16 (CH2) | 37.1 |
| 17 (C) | 88.4 |
| 18 (CH3) | 14.6 |
| 19 (CH3) | 14.3 |
| 20 (CH) | 41.5 |
| 21 (CH3) | 9 |
| 22 (CH) | 74.8 |
| 23 (CH2) | 31.6 |
| 24 (C) | 61.2 |
| 25 (C) | 63 |
| 26 (C) | 170 |
| 27 (CH3) | 13.6 |
| 28 (CH3) | 17.8 |
