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26-Amino-3-hydroxycholest-5-en-16-one
SpectraBase Compound ID 4dvQEAJG9ah
InChI InChI=1S/C27H45NO2/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-23,25,29H,5-7,9-16,28H2,1-4H3
InChIKey ISEQHFFUPPBHLN-UHFFFAOYSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzTMl5vowbA
Name 26-Amino-3-hydroxycholest-5-en-16-one
Alternate Name(s) 16-Keto-tetrahydrosolasodine 17-(7-amino-6-methylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one 17-(7-azanyl-6-methyl-heptan-2-yl)-10,13-dimethyl-3-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-one
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Formula C27H45NO2
InChI InChI=1S/C27H45NO2/c1-17(16-28)6-5-7-18(2)25-24(30)15-23-21-9-8-19-14-20(29)10-12-26(19,3)22(21)11-13-27(23,25)4/h8,17-18,20-23,25,29H,5-7,9-16,28H2,1-4H3
InChIKey ISEQHFFUPPBHLN-UHFFFAOYSA-N
Molecular Weight 415.662 g/mol
SMILES NCC(CCCC(C1C(CC2C3CC=C4C(CCC(O)C4)(C)C3CCC12C)=O)C)C
SPLASH splash10-014i-3900000000-554227e80035f9d82d37
Source of Spectrum NP-14-7817-0
Wiley ID 1111990