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3-( 17'.beta.-Acetylandrosta-3',5'-dien-3'-yl)-5,5-dimethylfuran-2(5H)-one
SpectraBase Compound ID 9X6SoJdkRR8
InChI InChI=1S/C27H36O3/c1-16(28)21-8-9-22-19-7-6-18-14-17(20-15-25(2,3)30-24(20)29)10-12-26(18,4)23(19)11-13-27(21,22)5/h6,14-15,19,21-23H,7-13H2,1-5H3/t19?,21-,22?,23?,26+,27-/m1/s1
InChIKey WQDWWNPBLLVVCN-RNYJGSKZSA-N
Mol Weight 408.6 g/mol
Molecular Formula C27H36O3
Exact Mass 408.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pg0p1Qt6El
Name 3-( 17'.beta.-Acetylandrosta-3',5'-dien-3'-yl)-5,5-dimethylfuran-2(5H)-one
Alternate Name(s) 5,5-Dimethyl-3-(20-oxopregna-3,5-dien-3-yl)-2(5H)-furanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O3
InChI InChI=1S/C27H36O3/c1-16(28)21-8-9-22-19-7-6-18-14-17(20-15-25(2,3)30-24(20)29)10-12-26(18,4)23(19)11-13-27(21,22)5/h6,14-15,19,21-23H,7-13H2,1-5H3/t19?,21-,22?,23?,26+,27-/m1/s1
InChIKey WQDWWNPBLLVVCN-RNYJGSKZSA-N
Molecular Weight 408.582 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CCC(C=2C(OC(C2)(C)C)=O)=C4)C)CC[C@@]1(C(=O)C)[H])C
SPLASH splash10-0a4i-0003900000-56c07b90bcb09462cc70
Source of Spectrum U1-1999-3312-11
Wiley ID 753520