3-Acetyl-7-azidocholesterol

SpectraBase Compound ID	7IJgOqNza9E
InChI	InChI=1S/C29H47N3O2/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(34-20(4)33)16-21(28)17-26(27)31-32-30/h17-19,22-27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,26?,27+,28+,29-/m1/s1
InChIKey	BQWIQEWQLGYBJX-KVBUMPSKSA-N Google Search
Mol Weight	469.7 g/mol
Molecular Formula	C29H47N3O2
Exact Mass	469.366828 g/mol

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SpectraBase Spectrum ID	HtR89636Gyk
Name	3-Acetyl-7-azidocholesterol
Alternate Name(s)	3-.beta.-Acetyl-7-azidocholesterol 3-Acetyl-7.alpha.-azidocholesterol 7-Azidocholest-5-en-3-yl acetate Acetic acid [(3S,8S,9S,10R,13R,14S,17R)-7-azido-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3S,8S,9S,10R,13R,14S,17R)-7-azido-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13R,14S,17R)-7-azido-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3S,8S,9S,10R,13R,14S,17R)-7-azido-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H47N3O2
InChI	InChI=1S/C29H47N3O2/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(34-20(4)33)16-21(28)17-26(27)31-32-30/h17-19,22-27H,7-16H2,1-6H3/t19-,22+,23-,24+,25+,26?,27+,28+,29-/m1/s1
InChIKey	BQWIQEWQLGYBJX-KVBUMPSKSA-N
Molecular Weight	469.714 g/mol
SMILES	[C@@]12([C@]([C@@]3(C(C=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)N=[N+]=[N-])[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH	splash10-0006-0003900000-50469dcf33b5bcfdf16f
Source of Spectrum	U1-2002-4077-1
Wiley ID	1523578