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(22R,25R)-3.beta.,16.beta.-Diacetoxy-22,26-epiminocholest-5-ene

View entire compound with spectra: 1 MS (GC)

(22R,25R)-3.beta.,16.beta.-Diacetoxy-22,26-epiminocholest-5-ene
SpectraBase Compound ID 4YVa8euk1Vj
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-RZASBWHHSA-N
Mol Weight 499.7 g/mol
Molecular Formula C31H49NO4
Exact Mass 499.366159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GR3vfVlTHy
Name (22R,25R)-3.beta.,16.beta.-Diacetoxy-22,26-epiminocholest-5-ene
Alternate Name(s) (3beta,16beta,20S)-16-(acetyloxy)-20-[(2R,5R)-5-methylpiperidinyl]pregn-5-en-3-yl acetate
CAS Registry Number 143235-56-7
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-RZASBWHHSA-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 splash10-0002-9000800000-03613bf48f947ec7c057
Source of Spectrum U-1992-1092-8
Wiley ID 764500