24-Nor-5β-chol-22-en-3α-ol, acetate

SpectraBase Compound ID	ExPxcMR4tew
InChI	InChI=1S/C25H40O2/c1-6-16(2)21-9-10-22-20-8-7-18-15-19(27-17(3)26)11-13-24(18,4)23(20)12-14-25(21,22)5/h6,16,18-23H,1,7-15H2,2-5H3/t16-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey	CTWPTPOIKRLJTP-KBQOZZBESA-N Google Search
Mol Weight	372.6 g/mol
Molecular Formula	C25H40O2
Exact Mass	372.302831 g/mol

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SpectraBase Spectrum ID	GvDA5w4GMyQ
Name	3.alpha.-acetoxy-24-nor-5.beta.-chol-22-ene
Alternate Name(s)	(1S,2S,5R,7R,10R,11S,14R,15R)-14-[(2R)-but-3-en-2-yl]-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-yl acetate Acetic acid [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-but-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-but-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1-methylallyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate [(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-but-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
CAS Registry Number	50630-72-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H40O2
InChI	InChI=1S/C25H40O2/c1-6-16(2)21-9-10-22-20-8-7-18-15-19(27-17(3)26)11-13-24(18,4)23(20)12-14-25(21,22)5/h6,16,18-23H,1,7-15H2,2-5H3/t16-,18-,19-,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey	CTWPTPOIKRLJTP-KBQOZZBESA-N
Molecular Weight	372.593 g/mol
SMILES	[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(CC2)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])(CC[C@@]1([C@@](C=C)(C)[H])[H])[H])C
SPLASH	splash10-0a4i-0091000000-7e6795fd4311bee1fdbc
Source of Spectrum	J-51-404-19
Wiley ID	1355865