Spektraris NMR
Taiwaniasterol D
Common Name: Taiwaniasterol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H50O3/c1-7-19(17(2)3)14-25(30)18(4)22-8-9-23-21-16-28(31)15-20(29)10-13-27(28,6)24(21)11-12-26(22,23)5/h17-25,29-31H,7-16H2,1-6H3/t18-,19-,20-,21-,22+,23-,24-,25+,26+,27+,28+/m0/s1
InChIKey: InChIKey=ISHYRWONHGVJSA-AYTRMJARSA-N
Formula: C28H50O3
Molecular Weight: 434.695858
Exact Mass: 434.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1998) 48, 1391-7
Species:
Notes: Family : Steroids, Type : Poliferastanes; 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) | 26.5 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 67.4 |
| 4 (CH2) | 43.2 |
| 5 (C) | 81.5 |
| 6 (CH2) | 43.3 |
| 8 (CH) | 37.3 |
| 9 (CH) | 51.9 |
| 10 (C) | 44.8 |
| 11 (CH2) | 21.7 |
| 12 (CH2) | 40 |
| 13 (C) | 44.9 |
| 14 (CH) | 56.5 |
| 15 (CH2) | 24.4 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 52.6 |
| 18 (CH3) | 12.5 |
| 19 (CH3) | 18.3 |
| 20 (CH) | 42.4 |
| 21 (CH3) | 12.3 |
| 22 (CH) | 71.3 |
| 23 (CH2) | 29.8 |
| 24 (CH) | 41.4 |
| 25 (CH) | 28.7 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 20.5 |
| 24a (CH2) | 23.5 |
| 24b (CH3) | 11.8 |
