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

SpectraBase Compound ID	JB8pfRTlOWT
InChI	InChI=1S/C26H44N2O2/c1-16(4-9-24-27-12-13-28-24)20-7-8-21-19-6-5-17-14-18(29)10-11-25(17,2)22(19)15-23(30)26(20,21)3/h16-23,29-30H,4-15H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
InChIKey	MDLXDLFCBWIBEG-VAYUFCLWSA-N Google Search
Mol Weight	416.7 g/mol
Molecular Formula	C26H44N2O2
Exact Mass	416.340279 g/mol

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SpectraBase Spectrum ID	4X3fRPAI0O
Name	(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-3-(2-imidazolin-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H44N2O2
InChI	InChI=1S/C26H44N2O2/c1-16(4-9-24-27-12-13-28-24)20-7-8-21-19-6-5-17-14-18(29)10-11-25(17,2)22(19)15-23(30)26(20,21)3/h16-23,29-30H,4-15H2,1-3H3,(H,27,28)/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-/m1/s1
InChIKey	MDLXDLFCBWIBEG-VAYUFCLWSA-N
Molecular Weight	416.650 g/mol
SMILES	O[C@]1(C[C@@]2([C@@]3([C@](CC[C@]2([C@]2([C@]1([C@@]([C@@](CCC1=NCCN1)(C)[H])(CC2)[H])C)[H])[H])(C[C@@](CC3)(O)[H])[H])C)[H])[H]
SPLASH	splash10-000t-9000000000-e160b9d8625342173a71
Source of Spectrum	G-62-477-4
Synonyms	(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(1R)-3-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol (3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-4-(4,5-dihydro-1H-imidazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
Wiley ID	749250