(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-aminoethoxyimino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol

SpectraBase Compound ID	C5XuNz8os7g
InChI	InChI=1S/C25H42N2O3/c1-17(16-27-30-13-12-26)14-19-6-11-25(29)22-5-4-18-15-20(28)7-9-23(18,2)21(22)8-10-24(19,25)3/h14,16,18-22,28-29H,4-13,15,26H2,1-3H3/b17-14+,27-16+/t18-,19-,20+,21+,22-,23+,24-,25+/m1/s1
InChIKey	XSFLNQNQRJJZBO-AFFLTQSNSA-N Google Search
Mol Weight	418.6 g/mol
Molecular Formula	C25H42N2O3
Exact Mass	418.319543 g/mol

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SpectraBase Spectrum ID	BbLZGHyW9de
Name	(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-aminoethoxyimino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H42N2O3
InChI	InChI=1S/C25H42N2O3/c1-17(16-27-30-13-12-26)14-19-6-11-25(29)22-5-4-18-15-20(28)7-9-23(18,2)21(22)8-10-24(19,25)3/h14,16,18-22,28-29H,4-13,15,26H2,1-3H3/b17-14+,27-16+/t18-,19-,20+,21+,22-,23+,24-,25+/m1/s1
InChIKey	XSFLNQNQRJJZBO-AFFLTQSNSA-N
Molecular Weight	418.622 g/mol
SMILES	NCCO\N=C\C(=C\[C@@]1([C@@]2([C@](CC1)([C@@]1(CC[C@@]3(C[C@](CC[C@@]3([C@]1(CC2)[H])C)(O)[H])[H])[H])O)C)[H])C
SPLASH	splash10-0udi-0090200000-1038b09d51bc3ee38b28
Source of Spectrum	F2-43-2343-24
Synonyms	(3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-aminoethyloximino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol (3S,5R,8R,9S,10S,13R,14S,17R)-17-[(E,3E)-3-(2-azanylethoxyimino)-2-methyl-prop-1-enyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,14-diol
Wiley ID	1600730