5-.beta.-Cholest-3-eno[4,3-d]pyrimidine

SpectraBase Compound ID	IcuTxuaKImV
InChI	InChI=1S/C29H46N2/c1-19(2)7-6-8-20(3)23-11-12-24-22-9-10-26-27-21(17-30-18-31-27)13-15-29(26,5)25(22)14-16-28(23,24)4/h17-20,22-26H,6-16H2,1-5H3/t20-,22+,23?,24+,25+,26-,28-,29-/m1/s1
InChIKey	RFHZDZGGGURQOQ-VYKPZVTESA-N Google Search
Mol Weight	422.7 g/mol
Molecular Formula	C29H46N2
Exact Mass	422.366099 g/mol

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SpectraBase Spectrum ID	FRyHqdW93mx
Name	5-.beta.-Cholest-3-eno[4,3-d]pyrimidine
Alternate Name(s)	(6aR,6bS,8aR,11aS,11bS,13aS)-9-[(1R)-1,5-dimethylhexyl]-6a,8a-dimethyl-6,6a,6b,7,8,8a,9,10,11,11a,11b,12,13,13a-tetradecahydro-5H-cyclopenta[5,6]naphtho[1,2-h]quinazoline
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H46N2
InChI	InChI=1S/C29H46N2/c1-19(2)7-6-8-20(3)23-11-12-24-22-9-10-26-27-21(17-30-18-31-27)13-15-29(26,5)25(22)14-16-28(23,24)4/h17-20,22-26H,6-16H2,1-5H3/t20-,22+,23?,24+,25+,26-,28-,29-/m1/s1
InChIKey	RFHZDZGGGURQOQ-VYKPZVTESA-N
Molecular Weight	422.701 g/mol
SMILES	[C@@]12([C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)[C@@](CCCC(C)C)(C)[H])[H])([H])CC[C@@]2(c2ncncc2CC1)[H])[H])C
SPLASH	splash10-0597-9610500000-33a787acec859c3e2641
Source of Spectrum	U-1995-1874-7
Wiley ID	820127