Spektraris NMR
Jaborosalactol N
Common Name: Jaborosalactol N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O7/c1-15(20-14-24(3)26(5,35-24)22(31)34-20)27(32)11-12-28(33)18-13-19(29)17-7-6-8-21(30)25(17,4)16(18)9-10-23(27,28)2/h6-8,15-16,18-20,22,29,31-33H,9-14H2,1-5H3/t15-,16+,18-,19-,20-,22-,23-,24+,25-,26-,27-,28+/m1/s1
InChIKey: InChIKey=WBTUHPVFVFHFQO-COIJYIQSSA-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) | 191.7 |
| 2 (CH) | 126.3 |
| 3 (CH) | 140 |
| 4 (CH) | 118.3 |
| 5 (C) | 148.1 |
| 6 (CH) | 73.4 |
| 7 (CH2) | 29.7 |
| 8 (CH) | 34.9 |
| 9 (CH) | 44.8 |
| 10 (C) | 53.2 |
| 11 (CH2) | 19 |
| 12 (CH2) | 21.1 |
| 13 (C) | 51 |
| 14 (C) | 87.5 |
| 15 (CH2) | 30.2 |
| 16 (CH2) | 35.7 |
| 17 (C) | 88.8 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 20.2 |
| 20 (CH) | 41.5 |
| 21 (CH3) | 9.9 |
| 22 (CH) | 64.4 |
| 23 (CH2) | 32.5 |
| 24 (C) | 63.6 |
| 25 (C) | 63.4 |
| 26 (CH) | 91.6 |
| 27 (CH3) | 16.6 |
| 28 (CH3) | 18.9 |
