Spektraris NMR
12-Deacetyloxy-15a-hydroxy-23-epi-26-deoxyactein
Common Name: 12-Deacetyloxy-15a-hydroxy-23-epi-26-deoxyactein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H54O9/c1-17-13-35(28-31(5,44-28)16-41-35)43-25-22(17)30(4)11-12-34-15-33(34)10-9-21(42-27-24(38)23(37)18(36)14-40-27)29(2,3)19(33)7-8-20(34)32(30,6)26(25)39/h17-28,36-39H,7-16H2,1-6H3/t17-,18-,19+,20+,21+,22+,23+,24-,25-,26+,27+,28+,30-,31+,32-,33-,34+,35+/m1/s1
InChIKey: InChIKey=DTEPMSNVPQVQDW-UNRATHGWSA-N
Formula: C35H54O9
Molecular Weight: 618.799201
Exact Mass: 618.376783
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, L., Yang, J.S., Tu, G.Z., Zou, J.H. Chem Pharm Bull (2006) 54, 823-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.5 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 88.5 |
| 4 (C) | 41.4 |
| 5 (CH) | 47.5 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 48.9 |
| 9 (C) | 20.7 |
| 10 (C) | 26.6 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 34.1 |
| 13 (C) | 44.6 |
| 14 (C) | 48 |
| 15 (CH) | 84.2 |
| 16 (CH) | 83.9 |
| 17 (CH) | 54.9 |
| 18 (CH3) | 20.9 |
| 19 (CH2) | 30.6 |
| 20 (CH) | 23.5 |
| 21 (CH3) | 20.3 |
| 22 (CH2) | 37.7 |
| 23 (C) | 106.4 |
| 24 (CH) | 62.4 |
| 25 (C) | 62.1 |
| 26 (CH2) | 68 |
| 27 (CH3) | 14.2 |
| 28 (CH3) | 25.7 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 12.7 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.6 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.1 |
