Spektraris NMR
19-Dihydroasclepin
Common Name: 19-Dihydroasclepin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,16,19-25,27,32,35-36H,4-10,12-15H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1
InChIKey: InChIKey=GLXUNTFWMNVCKD-SVDYBJNLSA-N
Formula: C31H44O10
Molecular Weight: 576.676255
Exact Mass: 576.293448
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Warashina, T., Shikata, K., Miyase, T., Fujii, S., Noro, T. Chem Pharm Bull (2008) 56, 1159-63
Species:
Notes: Family : Steroids, Type : nor-Cholanes, Group : Cardenolides; 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) | 37.8 |
| 2 (CH) | 69.5 |
| 3 (CH) | 73.1 |
| 4 (CH2) | 33.5 |
| 5 (CH) | 45.4 |
| 6 (CH2) | 28 |
| 7 (CH2) | 27.8 |
| 8 (CH) | 41.8 |
| 9 (CH) | 51.5 |
| 10 (C) | 41.9 |
| 11 (CH2) | 23.5 |
| 12 (CH2) | 40.4 |
| 13 (C) | 50.2 |
| 14 (C) | 84.7 |
| 15 (CH2) | 33.2 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 50.6 |
| 18 (CH3) | 16.3 |
| 19 (CH2) | 59.3 |
| 20 (C) | 175.9 |
| 21 (CH2) | 73.7 |
| 22 (CH) | 117.7 |
| 23 (C) | 174.5 |
| 1' (CH) | 97.3 |
| 2' (C) | 91.7 |
| 3' (CH) | 75.6 |
| 4' (CH2) | 36.4 |
| 5' (CH) | 68 |
| 6' (CH3) | 21.3 |
| 3'a (C) | 170.7 |
| 3'b (CH3) | 20.9 |
