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Cholest-5-en-4-one, 6-amino-
SpectraBase Compound ID AQgZWVMTUuq
InChI InChI=1S/C27H45NO/c1-17(2)8-6-9-18(3)20-11-12-21-19-16-23(28)25-24(29)10-7-14-27(25,5)22(19)13-15-26(20,21)4/h17-22H,6-16,28H2,1-5H3/t18-,19+,20-,21+,22+,26-,27-/m1/s1
InChIKey RGKKLXOZHWCPJU-OLZFZNDLSA-N
Mol Weight 399.7 g/mol
Molecular Formula C27H45NO
Exact Mass 399.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IW3uuiiJB8y
Name Cholest-5-en-4-one, 6-amino-
CAS Registry Number 65981-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO
InChI InChI=1S/C27H45NO/c1-17(2)8-6-9-18(3)20-11-12-21-19-16-23(28)25-24(29)10-7-14-27(25,5)22(19)13-15-26(20,21)4/h17-22H,6-16,28H2,1-5H3/t18-,19+,20-,21+,22+,26-,27-/m1/s1
InChIKey RGKKLXOZHWCPJU-OLZFZNDLSA-N
Molecular Weight 399.663 g/mol
SMILES NC1=C2[C@@]([C@]3(CC[C@]4([C@]([C@@]3(C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])(CCCC2=O)C
SPLASH splash10-000i-9000000000-5880358e841de691e0cd
Source of Spectrum B-31-119-0
Synonyms 6-Aminocholest-5-en-4-one
Wiley ID 1369126