5.alpha.-Cholest-2-eno[3,2-d]pyrimidine

SpectraBase Compound ID	AnriIfAfzK7
InChI	InChI=1S/C29H46N2/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-22-15-27-21(17-30-18-31-27)16-29(22,5)26(23)13-14-28(24,25)4/h17-20,22-26H,6-16H2,1-5H3/t20-,22+,23+,24?,25+,26+,28-,29+/m1/s1
InChIKey	JEIMWVFCCZFOHB-NSXOXAOXSA-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	40Rk9JqrVw
Name	5.alpha.-Cholest-2-eno[3,2-d]pyrimidine
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)24-11-12-25-23-10-9-22-15-27-21(17-30-18-31-27)16-29(22,5)26(23)13-14-28(24,25)4/h17-20,22-26H,6-16H2,1-5H3/t20-,22+,23+,24?,25+,26+,28-,29+/m1/s1
InChIKey	JEIMWVFCCZFOHB-NSXOXAOXSA-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(Cc2ncncc2C1)[H])[H])C
SPLASH	splash10-0600-2150900000-1ecb3145d693c895fb70
Source of Spectrum	U-1995-893-5
Synonyms	(3aS,3bR,5aS,11aS,11bS,13aR)-1-[(1R)-1,5-dimethylhexyl]-11a,13a-dimethyl-2,3,3a,3b,4,5,5a,6,11,11a,11b,12,13,13a-tetradecahydro-1H-cyclopenta[5,6]naphtho[1,2-g]quinazoline
Wiley ID	766886