| SpectraBase Spectrum ID |
4LuL904CXXh |
| Name |
(22S,25R)-3.beta.,16.beta.-Diacetoxy-22,26-epiminocholest-5-ene |
| CAS Registry Number |
143171-54-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H49NO4 |
| InChI |
InChI=1S/C31H49NO4/c1-18-7-10-27(32-17-18)19(2)29-28(36-21(4)34)16-26-24-9-8-22-15-23(35-20(3)33)11-13-30(22,5)25(24)12-14-31(26,29)6/h8,18-19,23-29,32H,7,9-17H2,1-6H3/t18-,19+,23+,24-,25+,26+,27+,28+,29+,30+,31+/m1/s1 |
| InChIKey |
HMDDBALBTCWYFC-BYNDJFDXSA-N |
| Molecular Weight |
499.736 g/mol |
| SMILES |
N1C[C@@](CC[C@]1([C@@]([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])(C[C@@]1(OC(=O)C)[H])[H])C)[H])(C)[H])[H])(C)[H] |
| SPLASH |
splash10-0002-9000400000-14e3d3e739a7b3264663 |
| Source of Spectrum |
U-1992-1092-5 |
| Synonyms |
(3beta,16beta,20R)-16-(acetyloxy)-20-[(2S,5R)-5-methylpiperidinyl]pregn-5-en-3-yl acetate |
| Wiley ID |
764501 |
