1H-Cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxole, cholestane deriv.

SpectraBase Compound ID	3MTHZYlskJn
InChI	InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-16-29(30-6)26(31-18-32-29)17-28(21,5)25(22)14-15-27(23,24)4/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,27-,28+,29-/m1/s1
InChIKey	OFJZRVPQBQISAF-LCUVOATBSA-N Google Search
Mol Weight	446.7 g/mol
Molecular Formula	C29H50O3
Exact Mass	446.375995 g/mol

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SpectraBase Spectrum ID	LXj6RtmwWcV
Name	1H-Cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxole, cholestane deriv.
Alternate Name(s)	Cholestane, 3-methoxy-2,3-[methylenebis(oxy)]-, (2.alpha.,3.alpha.,5.alpha.)- (1R,3aS,3bR,5aS,6aR,9aS,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethylhexadecahydro-6aH-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-6a-yl methyl ether (1R,3aS,3bR,5aS,6aR,9aS,10aS,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-6a-methoxy-10a,12a-dimethylhexadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxole 2.alpha.,3.beta.-methlenedioxy-3.alpha.-methoxy-5.alpha.-cholestane
CAS Registry Number	130517-36-1
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H50O3
InChI	InChI=1S/C29H50O3/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-16-29(30-6)26(31-18-32-29)17-28(21,5)25(22)14-15-27(23,24)4/h19-26H,7-18H2,1-6H3/t20-,21+,22+,23-,24+,25+,26+,27-,28+,29-/m1/s1
InChIKey	OFJZRVPQBQISAF-LCUVOATBSA-N
Molecular Weight	446.716 g/mol
SMILES	[C@@]12([C@@]3([C@@]([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC[C@]2(C[C@]2(OCO[C@]2(C1)[H])OC)[H])[H])C
SPLASH	splash10-000t-0700900000-ed4cfd66c64ee7f2d433
Source of Spectrum	KC-1990-1243-16
Wiley ID	1386822