(2R,3S,5S,8R,9S,10S,13R,14S,17R)-2-(dichloromethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-carbonitrile

SpectraBase Compound ID	E3wxZnZHbPh
InChI	InChI=1S/C29H47Cl2N/c1-18(2)7-6-8-19(3)24-11-12-25-22-10-9-21-15-20(17-32)23(27(30)31)16-29(21,5)26(22)13-14-28(24,25)4/h18-27H,6-16H2,1-5H3/t19-,20-,21+,22+,23-,24-,25+,26+,28-,29+/m1/s1
InChIKey	SUMQBXKPRODBMG-AULHMYEESA-N Google Search
Mol Weight	480.6 g/mol
Molecular Formula	C29H47Cl2N
Exact Mass	479.308556 g/mol

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SpectraBase Spectrum ID	EC3BLHiuYtb
Name	(2R,3S,5S,8R,9S,10S,13R,14S,17R)-2-(dichloromethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-carbonitrile
Alternate Name(s)	(2R,3S,5S,8R,9S,10S,13R,14S,17R)-2-(dichloromethyl)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-carbonitrile (2R,3S,5S,8R,9S,10S,13R,14S,17R)-2-[bis(chloranyl)methyl]-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3-carbonitrile
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H47Cl2N
InChI	InChI=1S/C29H47Cl2N/c1-18(2)7-6-8-19(3)24-11-12-25-22-10-9-21-15-20(17-32)23(27(30)31)16-29(21,5)26(22)13-14-28(24,25)4/h18-27H,6-16H2,1-5H3/t19-,20-,21+,22+,23-,24-,25+,26+,28-,29+/m1/s1
InChIKey	SUMQBXKPRODBMG-AULHMYEESA-N
Molecular Weight	480.608 g/mol
SMILES	[C@@]1([C@@](C[C@]2([C@](C1)(CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])[H])C)(C(Cl)Cl)[H])(C#N)[H]
SPLASH	splash10-052u-7293300000-97434a6c829b56cd662e
Source of Spectrum	F-62-1076-19
Wiley ID	1632119