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5,6-Secocholestan-6-al, 3-hydroxy-1-oxo-, (3.alpha.,10.alpha.)-
SpectraBase Compound ID KU9E8DTgj75
InChI InChI=1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h16,18-24,29H,6-15,17H2,1-5H3/t19-,20-,21?,22-,23+,24?,26-,27-/m1/s1
InChIKey YAKOGNWFSAFQBB-LIENQLHMSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1nORhWrSWue
Name 5,6-Secocholestan-6-al, 3-hydroxy-1-oxo-, (3.alpha.,10.alpha.)-
Alternate Name(s) 3.beta.-hydroxy-5-oxo-5,6-secocholestan-6-al {(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]-5-[(1R,4R)-4-hydroxy-1-methyl-2-oxocyclohexyl]-7a-methyloctahydro-1H-inden-4-yl}acetaldehyde
CAS Registry Number 81811-27-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-18(2)7-6-8-19(3)22-9-10-23-21(13-16-28)24(12-15-26(22,23)4)27(5)14-11-20(29)17-25(27)30/h16,18-24,29H,6-15,17H2,1-5H3/t19-,20-,21?,22-,23+,24?,26-,27-/m1/s1
InChIKey YAKOGNWFSAFQBB-LIENQLHMSA-N
Molecular Weight 418.662 g/mol
SMILES O[C@@]1(CC[C@](C2CC[C@]3([C@](C2CC=O)(CC[C@@]3([C@@](CCCC(C)C)(C)[H])[H])[H])C)(C(C1)=O)C)[H]
SPLASH splash10-0h2b-0329200000-dc199acf8ec6b0220739
Source of Spectrum C-105-1977-0
Wiley ID 1377454