Spektraris NMR
Hyousterones B
Common Name: Hyousterones B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O5/c1-16(7-6-10-24(2,3)31)17-9-12-27(32)19-13-21(28)20-14-22(29)23(30)15-25(20,4)18(19)8-11-26(17,27)5/h13-14,16-18,22-23,29-32H,6-12,15H2,1-5H3/t16-,17-,18+,22+,23-,25-,26-,27+/m1/s1
InChIKey: InChIKey=HRSCYVHZLUCLNT-PJPNZXBJSA-N
Formula: C27H42O5
Molecular Weight: 446.620406
Exact Mass: 446.303224
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 |
| 2 (CH) | 65.9 |
| 3 (CH) | 64.6 |
| 4 (CH) | 130.4 |
| 5 (C) | 143.6 |
| 6 (C) | 188.3 |
| 7 (CH) | 123.8 |
| 8 (C) | 170 |
| 9 (CH) | 45.8 |
| 10 (C) | 40.7 |
| 11 (CH2) | 20.4 |
| 12 (CH2) | 40 |
| 13 (C) | 48.7 |
| 14 (C) | 83.3 |
| 15 (CH2) | 40.5 |
| 16 (CH2) | 26.3 |
| 17 (CH) | 55.4 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 20.7 |
| 20 (CH) | 33.6 |
| 21 (CH3) | 20.6 |
| 22 (CH2) | 34.1 |
| 23 (CH2) | 21.5 |
| 24 (CH2) | 44.3 |
| 25 (C) | 68.7 |
| 26 (CH3) | 29.3 |
| 27 (CH3) | 29.3 |
