Cholest-3-eno[3,4-d]pyrimidine, 2'-chloro-

SpectraBase Compound ID	JEXCoEE7cvO
InChI	InChI=1S/C29H45ClN2/c1-18(2)7-6-8-19(3)22-11-12-23-21-9-10-25-26-20(17-31-27(30)32-26)13-15-29(25,5)24(21)14-16-28(22,23)4/h17-19,21-25H,6-16H2,1-5H3
InChIKey	MCPDGNPTVHLKNU-UHFFFAOYSA-N Google Search
Mol Weight	457.1 g/mol
Molecular Formula	C29H45ClN2
Exact Mass	456.327127 g/mol

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SpectraBase Spectrum ID	8Fl0xRUwRoP
Name	Cholest-3-eno[3,4-d]pyrimidine, 2'-chloro-
Alternate Name(s)	2-Chloro-9-(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	C29H45ClN2
InChI	InChI=1S/C29H45ClN2/c1-18(2)7-6-8-19(3)22-11-12-23-21-9-10-25-26-20(17-31-27(30)32-26)13-15-29(25,5)24(21)14-16-28(22,23)4/h17-19,21-25H,6-16H2,1-5H3
InChIKey	MCPDGNPTVHLKNU-UHFFFAOYSA-N
Molecular Weight	457.146 g/mol
SMILES	c1c2c(nc(n1)Cl)C1C(CC2)(C2C(CC1)C1C(CC2)(C(CC1)C(CCCC(C)C)C)C)C
SPLASH	splash10-066v-9300000000-fceb3373a59e098f77b3
Wiley ID	1475300