Spektraris NMR
Abeohyousterone
Common Name: Abeohyousterone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H42O5/c1-16(7-6-11-24(2,3)32)17-8-9-23(31)27-15-20(29)18-13-19(28)21(30)14-25(18,4)22(27)10-12-26(17,27)5/h13,16-17,19,21-22,28,30,32H,6-12,14-15H2,1-5H3/t16-,17-,19+,21-,22-,25+,26-,27+/m1/s1
InChIKey: InChIKey=LXKZVGVEFZGQAK-QODIXWNMSA-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) | 42 |
| 2 (CH) | 66.1 |
| 3 (CH) | 65.9 |
| 4 (CH) | 131.1 |
| 5 (C) | 141.8 |
| 6 (C) | 200.1 |
| 7 (CH2) | 40.6 |
| 8 (C) | 62 |
| 9 (CH) | 48.9 |
| 10 (C) | 36.1 |
| 11 (CH2) | 23.8 |
| 12 (CH2) | 37.2 |
| 13 (C) | 55 |
| 14 (C) | 214.3 |
| 15 (CH2) | 37.8 |
| 16 (CH2) | 22.5 |
| 17 (CH) | 46.6 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 25.7 |
| 20 (CH) | 32.6 |
| 21 (CH3) | 21.7 |
| 22 (CH2) | 33.2 |
| 23 (CH2) | 23.2 |
| 24 (CH2) | 44 |
| 25 (C) | 68.7 |
| 26 (CH3) | 29.3 |
| 27 (CH3) | 29.3 |
