Spektraris NMR
Aragusterol G
Common Name: Aragusterol G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H50O3/c1-16(22-12-18(22)3)6-7-17(2)27-25(31)14-24-21-9-8-19-13-20(30)10-11-28(19,4)23(21)15-26(32)29(24,27)5/h16-27,30-32H,6-15H2,1-5H3/t16-,17-,18-,19+,20+,21-,22+,23+,24+,25-,26-,27+,28+,29-/m1/s1
InChIKey: InChIKey=FQDOIFQTUHMQKM-PKOBFLHUSA-N
Formula: C29H50O3
Molecular Weight: 446.706593
Exact Mass: 446.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Holland, I.P., McCluskey, A., Sakoff, J.A., Gilbert, J., Chau, N., Robinson, P.J., Motti, C.A., Wright, A.D., van Altena, I.A. J Nat Prod (2009) 72, 102-6
Species:
Notes: Family : Steroids, Type : Campestanes; 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) | 32.1 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 66.4 |
| 4 (CH2) | 35.8 |
| 5 (CH) | 39 |
| 6 (CH2) | 28.4 |
| 7 (CH2) | 31.5 |
| 8 (CH) | 33.6 |
| 9 (CH) | 53.1 |
| 10 (C) | 36 |
| 11 (CH2) | 30.7 |
| 12 (CH) | 79.9 |
| 13 (C) | 49.2 |
| 14 (CH) | 51.4 |
| 15 (CH2) | 36.1 |
| 16 (CH) | 74.1 |
| 17 (CH) | 67.8 |
| 18 (CH3) | 9.1 |
| 19 (CH3) | 11.1 |
| 20 (CH) | 32.3 |
| 21 (CH3) | 22.6 |
| 22 (CH2) | 32.7 |
| 23 (CH2) | 36.2 |
| 24 (CH) | 38.7 |
| 25 (CH) | 27.3 |
| 26 (CH) | 12.8 |
| 27 (CH3) | 20 |
| 28 (CH2) | 11.5 |
| 24a (CH3) | 19.1 |
