Spektraris NMR
21,24-epoxy-3a,7a,21,23-tetraacetoxy-25-hydroxy-4a,4b,8b-trimethyl-14,18-cyclo-5a,13a,14a,17a-cholestane
Common Name: 21,24-epoxy-3a,7a,21,23-tetraacetoxy-25-hydroxy-4a,4b,8b-trimethyl-14,18-cyclo-5a,13a,14a,17a-cholestane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H58O10/c1-20(39)44-26-17-24(32(47-23(4)42)48-31(26)34(7,8)43)25-11-16-38-19-37(25,38)15-12-27-35(9)14-13-29(45-21(2)40)33(5,6)28(35)18-30(36(27,38)10)46-22(3)41/h24-32,43H,11-19H2,1-10H3/t24-,25-,26+,27+,28-,29+,30+,31+,32+,35+,36-,37+,38+/m0/s1
InChIKey: InChIKey=MPASDPJKUNYWHF-OOJCZEHFSA-N
Formula: C38H58O10
Molecular Weight: 674.862577
Exact Mass: 674.402998
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - W. W. Harding, H. Jacobs, S. McLean, W. F. Reynolds Magn Reson Chem (2001) 39, 719-22
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloapotirucallanes; 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) | 34 |
| 2 (CH2) | 22.7 |
| 3 (CH) | 78 |
| 4 (C) | 36.1 |
| 5 (CH) | 42.3 |
| 6 (CH2) | 23.1 |
| 7 (CH) | 76 |
| 8 (C) | 37.9 |
| 9 (CH) | 45.6 |
| 10 (C) | 37.1 |
| 11 (CH2) | 16.5 |
| 12 (CH2) | 25.6 |
| 13 (C) | 25.9 |
| 14 (C) | 37.2 |
| 15 (CH2) | 26.8 |
| 16 (CH2) | 20.6 |
| 17 (CH) | 43.9 |
| 18 (CH2) | 16.1 |
| 19 (CH3) | 15.9 |
| 20 (CH) | 34 |
| 21 (CH) | 96.3 |
| 22 (CH2) | 28.6 |
| 23 (CH) | 66.3 |
| 24 (CH) | 82.5 |
| 25 (C) | 71.4 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 26.3 |
| 28 (CH3) | 21.5 |
| 29 (CH3) | 27.6 |
| 30 (CH3) | 19.6 |
| 3a (C) | 169.6 |
| 3b (CH3) | 21.2 |
| 7a (C) | 170.3 |
| 7b (CH3) | 21.3 |
| 21a (C) | 170.5 |
| 21b (CH3) | 21.3 |
| 23a (C) | 170.7 |
| 23b (CH3) | 21.5 |
