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19-Methylene-5,10-secocholestan-3,5-dione
SpectraBase Compound ID FcPm6eitm0t
InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)25-11-12-26-24-15-19(3)9-10-22(28)17-23(29)16-21(24)13-14-27(25,26)5/h18,20-21,24-26H,3,6-17H2,1-2,4-5H3/t20-,21-,24-,25-,26+,27-/m1/s1
InChIKey FUTWJKNEHWDEQL-RVXGYFMNSA-N
Mol Weight 400.6 g/mol
Molecular Formula C27H44O2
Exact Mass 400.334131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ckCOK8QHMA
Name 19-Methylene-5,10-secocholestan-3,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O2
InChI InChI=1S/C27H44O2/c1-18(2)7-6-8-20(4)25-11-12-26-24-15-19(3)9-10-22(28)17-23(29)16-21(24)13-14-27(25,26)5/h18,20-21,24-26H,3,6-17H2,1-2,4-5H3/t20-,21-,24-,25-,26+,27-/m1/s1
InChIKey FUTWJKNEHWDEQL-RVXGYFMNSA-N
Molecular Weight 400.647 g/mol
SMILES [C@@]12([C@]([C@@]3(CC(=C)CCC(CC(C[C@]3(CC2)[H])=O)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-001i-0009200000-b34ab6ab1689ba0df8b5
Source of Spectrum J-60-8215-11
Synonyms (3R,3aR,5aR,13aR,13bS)-3-((R)-1,5-Dimethyl-hexyl)-3a-methyl-12-methylene-tetradecahydro-cyclodeca[e]indene-7,9-dione
Wiley ID 1369747