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A-homo-5-seco-4-formyl-4-methyl-4-azacholestane-3,6-dione
SpectraBase Compound ID 4YJ2tXIRXtX
InChI InChI=1S/C28H47NO3/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25(31)28(5,17-15-26(32)29(6)18-30)24(21)14-16-27(22,23)4/h18-24H,7-17H2,1-6H3/t20-,21?,22-,23?,24?,27-,28-/m1/s1
InChIKey NBTOHAJHHDCQEK-FGJPAWMRSA-N
Mol Weight 445.7 g/mol
Molecular Formula C28H47NO3
Exact Mass 445.355594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YHJWaoou3Y
Name A-homo-5-seco-4-formyl-4-methyl-4-azacholestane-3,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47NO3
InChI InChI=1S/C28H47NO3/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25(31)28(5,17-15-26(32)29(6)18-30)24(21)14-16-27(22,23)4/h18-24H,7-17H2,1-6H3/t20-,21?,22-,23?,24?,27-,28-/m1/s1
InChIKey NBTOHAJHHDCQEK-FGJPAWMRSA-N
Molecular Weight 445.688 g/mol
SMILES [C@@]12(C(C3CCC([C@@](C3CC2)(CCC(N(C=O)C)=O)C)=O)CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])C
SPLASH splash10-00ea-0009000000-f6257099ebd5cfc3945f
Source of Spectrum F-53-10576-17
Synonyms 3-{(3R,3aR,6R)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl}-N-formyl-N-methylpropanamide
Wiley ID 803157