Spektraris NMR
4,4,8,18-Tetramethyl-16beta-hydroxy-17alpha-acetyl-D-homo-5alpha-androstane-17abeta-carbaldehyde
Common Name: 4,4,8,18-Tetramethyl-16beta-hydroxy-17alpha-acetyl-D-homo-5alpha-androstane-17abeta-carbaldehyde
Synonyms: 4,4,8,18-Tetramethyl-16beta-hydroxy-17alpha-acetyl-D-homo-5alpha-androstane-17abeta-carbaldehyde
CAS Registry Number:
InChI: InChI=1S/C27H44O3/c1-7-27-14-10-21-25(5)12-8-11-24(3,4)20(25)9-13-26(21,6)22(27)15-19(30)23(17(2)29)18(27)16-28/h16,18-23,30H,7-15H2,1-6H3/t18-,19-,20-,21+,22-,23-,25-,26+,27+/m0/s1
InChIKey: InChIKey=LUYVYHXDAGGGLM-RYEROESMSA-N
Formula: C27H44O3
Molecular Weight: 416.637477
Exact Mass: 416.329045
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - De Rosa, S., Crispino, A., De Giulio, A., Iodice, C., Tommonaro, G., Zavodnik, N. Tetrahedron (1998) 54, 6185-90
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Scalaranes; 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) | 39.8 |
| 2 (CH2) | 18.3 |
| 3 (CH2) | 42.3 |
| 4 (C) | 33.5 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 41.7 |
| 8 (C) | 37.7 |
| 9 (CH) | 60.5 |
| 10 (C) | 37.3 |
| 11 (CH2) | 17 |
| 12 (CH2) | 35.7 |
| 13 (C) | 41.4 |
| 14 (CH) | 57.8 |
| 15 (CH2) | 29.6 |
| 16 (CH) | 74.8 |
| 17 (CH) | 52.5 |
| 18 (CH) | 65.9 |
| 19 (CH3) | 33.3 |
| 20 (CH3) | 21.2 |
| 21 (CH3) | 17.7 |
| 22 (CH3) | 16.1 |
| 23 (CH2) | 21.4 |
| 24 (C) | 211.5 |
| 25 (CH) | 201.9 |
| 26 (CH3) | 33.7 |
| 27 (CH3) | 9.3 |
