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A-homo-4-methyl-4-azacholesta-5,7-dien-3-one
SpectraBase Compound ID 9PERcOKvKTJ
InChI InChI=1S/C28H45NO/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-29(6)26(30)15-17-27(21,4)25(22)14-16-28(23,24)5/h10-11,18-20,22-25H,7-9,12-17H2,1-6H3/t20-,22?,23-,24?,25?,27+,28-/m1/s1
InChIKey MQCULQFWOVCDQL-UNUKYRCESA-N
Mol Weight 411.7 g/mol
Molecular Formula C28H45NO
Exact Mass 411.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JL4MgANeeaZ
Name A-homo-4-methyl-4-azacholesta-5,7-dien-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45NO
InChI InChI=1S/C28H45NO/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-29(6)26(30)15-17-27(21,4)25(22)14-16-28(23,24)5/h10-11,18-20,22-25H,7-9,12-17H2,1-6H3/t20-,22?,23-,24?,25?,27+,28-/m1/s1
InChIKey MQCULQFWOVCDQL-UNUKYRCESA-N
Molecular Weight 411.674 g/mol
SMILES [C@@]12(C(C3C=CC=4[C@@](C3CC2)(CCC(=O)N(C4)C)C)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-0bt9-9001500000-56450652334de8de311c
Source of Spectrum F-53-10575-11
Synonyms (5aR,7aR,8R)-8-[(1R)-1,5-dimethylhexyl]-2,5a,7a-trimethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,10b-dodecahydrocyclopenta[5,6]naphtho[2,1-c]azepin-3(2H)-one
Wiley ID 803161