Spektraris NMR
Taiwaniasterol A
Common Name: Taiwaniasterol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-8-20(17(2)3)15-25(33)18(4)22-9-10-23-26-24(12-13-28(22,23)6)29(7)14-11-21(32)16-30(29,34)27(26)19(5)31/h17-18,20-27,32-34H,8-16H2,1-7H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=RCTOVDMWUAJIAG-FUXVBDTQSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
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) | 27.9 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 67.2 |
| 4 (CH2) | 44.1 |
| 5 (C) | 83.2 |
| 6 (CH) | 65.6 |
| 7 (C) | 210.8 |
| 8 (CH) | 42.1 |
| 9 (CH) | 50.7 |
| 10 (C) | 44.8 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 39.6 |
| 13 (C) | 45.6 |
| 14 (CH) | 56 |
| 15 (CH2) | 24.6 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 52.5 |
| 18 (CH3) | 12.5 |
| 19 (CH3) | 17.4 |
| 20 (CH) | 42.4 |
| 21 (CH3) | 12.3 |
| 22 (CH) | 71.2 |
| 23 (CH2) | 29.8 |
| 24 (CH) | 41.3 |
| 25 (CH) | 28.7 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 20.5 |
| 28 (CH3) | 33.1 |
| 24a (CH2) | 23.5 |
| 24b (CH3) | 11.7 |
