Spektraris NMR
Taiwaniasterol B
Common Name: Taiwaniasterol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-7-19(17(2)3)14-24(32)18(4)21-8-9-22-26-23(11-12-28(21,22)5)29(6)13-10-20(31)15-30(29)27(26)25(33)16-34-30/h17-27,31-33H,7-16H2,1-6H3/t18-,19-,20-,21+,22-,23-,24+,25-,26-,27+,28+,29+,30+/m0/s1
InChIKey: InChIKey=OQEOZROLYKIFMU-JYAJJDNSSA-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) | 31.2 |
| 2 (CH2) | 29.5 |
| 3 (CH) | 67.7 |
| 4 (CH2) | 39.4 |
| 5 (C) | 95.7 |
| 6 (CH) | 59 |
| 7 (CH) | 71 |
| 8 (CH) | 36.3 |
| 9 (CH) | 57.8 |
| 10 (C) | 44.5 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 39.6 |
| 13 (C) | 44.5 |
| 14 (CH) | 56 |
| 15 (CH2) | 25.1 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 52.5 |
| 18 (CH3) | 12.4 |
| 19 (CH3) | 15.9 |
| 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 (CH2) | 76.6 |
| 24a (CH2) | 23.5 |
| 24b (CH3) | 11.7 |
