Spektraris NMR
Diaulusterol B
Common Name: Diaulusterol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O4/c1-16(7-6-11-25(2,3)31)18-8-9-19-17-13-22(28)21-14-23(29)24(30)15-27(21,5)20(17)10-12-26(18,19)4/h13-14,16,18-20,23-24,29-31H,6-12,15H2,1-5H3/t16-,18-,19+,20+,23+,24-,26-,27-/m1/s1
InChIKey: InChIKey=NKTPHQGGTBBIOB-LDEZCDJPSA-N
Formula: C27H42O4
Molecular Weight: 430.621001
Exact Mass: 430.30831
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Miyata, Y., Diyabalanage, T., Amsler, C.D., McClintock, J.B., Valeriote, F.A., Baker, B.J. J Nat Prod (2007) 70, 1859-64
Species:
Notes: Family : Steroids, Type : Cholestanes; 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 (CH2) | 38 |
| 2 (CH) | 65.9 |
| 3 (CH) | 64.6 |
| 4 (CH) | 130.2 |
| 5 (C) | 143.9 |
| 6 (C) | 187.8 |
| 7 (CH) | 122.7 |
| 8 (C) | 166.7 |
| 9 (CH) | 46.7 |
| 10 (C) | 39.7 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 37.8 |
| 13 (C) | 43.9 |
| 14 (CH) | 55 |
| 15 (CH2) | 22.1 |
| 16 (CH2) | 27.3 |
| 17 (CH) | 55.4 |
| 18 (CH3) | 12.2 |
| 19 (CH3) | 20.8 |
| 20 (CH) | 35.4 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 36 |
| 23 (CH2) | 20.3 |
| 24 (CH2) | 44.1 |
| 25 (C) | 68.9 |
| 26 (CH3) | 29.4 |
| 27 (CH3) | 29.4 |
