(3R,5S,7R,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-3,7,12-triol

SpectraBase Compound ID	CtedkKFvpa
InChI	InChI=1S/C26H44N2O3/c1-15(4-7-23-27-10-11-28-23)18-5-6-19-24-20(14-22(31)26(18,19)3)25(2)9-8-17(29)12-16(25)13-21(24)30/h15-22,24,29-31H,4-14H2,1-3H3,(H,27,28)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey	AGWLAOLHGPJIFU-HZAMXZRMSA-N Google Search
Mol Weight	432.6 g/mol
Molecular Formula	C26H44N2O3
Exact Mass	432.335193 g/mol

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SpectraBase Spectrum ID	KWpiqTdZxXx
Name	(3R,5S,7R,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-3,7,12-triol
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H44N2O3
InChI	InChI=1S/C26H44N2O3/c1-15(4-7-23-27-10-11-28-23)18-5-6-19-24-20(14-22(31)26(18,19)3)25(2)9-8-17(29)12-16(25)13-21(24)30/h15-22,24,29-31H,4-14H2,1-3H3,(H,27,28)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey	AGWLAOLHGPJIFU-HZAMXZRMSA-N
Molecular Weight	432.649 g/mol
SMILES	O[C@]1(C[C@@]2([C@@]3([C@](C[C@]([C@]2([C@]2([C@]1([C@@]([C@@](CCC1=NCCN1)(C)[H])(CC2)[H])C)[H])[H])(O)[H])(C[C@@](CC3)(O)[H])[H])C)[H])[H]
SPLASH	splash10-000t-9000000000-cbf7f0795a45245c2731
Source of Spectrum	G-62-477-4
Synonyms	(3R,5S,7R,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-3,7,12-triol (3R,5S,7R,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-3,7,12-triol
Wiley ID	749249