Spiro[cholestanone3,4'-2'-methylenebutyrolactone]

SpectraBase Compound ID	DDECuFlFpVD
InChI	InChI=1S/C31H50O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-19-31(18-22(4)28(32)33-31)17-16-29(23,5)27(24)14-15-30(25,26)6/h20-21,23-27H,4,7-19H2,1-3,5-6H3/t21-,23?,24+,25-,26+,27+,29+,30-,31?/m1/s1
InChIKey	AERHKQHYAJAIQJ-PEUPNJGYSA-N Google Search
Mol Weight	454.7 g/mol
Molecular Formula	C31H50O2
Exact Mass	454.381081 g/mol

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SpectraBase Spectrum ID	JhuEgrBucKZ
Name	Spiro[cholestanone3,4'-2'-methylenebutyrolactone]
Alternate Name(s)	Spiro[cholestanone-3-methylenebutyrolactone] (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3'-methylene-17-[(2R)-6-methylheptan-2-yl]-2'-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5'-oxolane]one (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3'-methylidenespiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one (8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3'-methylidene-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5'-oxolane]-2'-one
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H50O2
InChI	InChI=1S/C31H50O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-23-19-31(18-22(4)28(32)33-31)17-16-29(23,5)27(24)14-15-30(25,26)6/h20-21,23-27H,4,7-19H2,1-3,5-6H3/t21-,23?,24+,25-,26+,27+,29+,30-,31?/m1/s1
InChIKey	AERHKQHYAJAIQJ-PEUPNJGYSA-N
Molecular Weight	454.739 g/mol
SMILES	[C@@]12([C@]([C@@]3(CCC4[C@@]([C@]3(CC2)[H])(CCC2(C4)OC(=O)C(C2)=C)C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH	splash10-05mo-9110100000-c2633d1a27e9cf20735e
Source of Spectrum	F-55-10787-3
Wiley ID	839189