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1',5'-Dihydrospiro[androsta-1,4-diene-17,3'-benzo[e][1,3]dithiepine]-3-one

View entire compound with spectra: 1 MS (GC)

1',5'-Dihydrospiro[androsta-1,4-diene-17,3'-benzo[e][1,3]dithiepine]-3-one
SpectraBase Compound ID 6mK4QpQlS0g
InChI InChI=1S/C27H32OS2/c1-25-12-9-21(28)15-20(25)7-8-22-23(25)10-13-26(2)24(22)11-14-27(26)29-16-18-5-3-4-6-19(18)17-30-27/h3-6,9,12,15,22-24H,7-8,10-11,13-14,16-17H2,1-2H3/t22?,23?,24?,25-,26-/m0/s1
InChIKey YMYLJOZSORQLDF-UZUOBHKXSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H32OS2
Exact Mass 436.189458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3G1YwDJ7C4
Name 1',5'-Dihydrospiro[androsta-1,4-diene-17,3'-benzo[e][1,3]dithiepine]-3-one
Alternate Name(s) 1',5'-Dihydrospiro[androsta-1,4-diene-17,3'-benzo[e][1,3]dithiepine]-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32OS2
InChI InChI=1S/C27H32OS2/c1-25-12-9-21(28)15-20(25)7-8-22-23(25)10-13-26(2)24(22)11-14-27(26)29-16-18-5-3-4-6-19(18)17-30-27/h3-6,9,12,15,22-24H,7-8,10-11,13-14,16-17H2,1-2H3/t22?,23?,24?,25-,26-/m0/s1
InChIKey YMYLJOZSORQLDF-UZUOBHKXSA-N
Molecular Weight 436.672 g/mol
SMILES [C@@]12(C(=CC(C=C2)=O)CCC2C3CCC4([C@]3(CCC12)C)SCc1ccccc1CS4)C
SPLASH splash10-000i-0933700000-8ec639abb2a0c6d4aa58
Source of Spectrum U-1993-14-5f
Wiley ID 764820