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6-(1,3-Dithian-2-ylidenemethyl)-3a,6-dimethyl-7-(2-oxopropyl)dodecahydro-1H-cyclopenta[a]naphthalen-3-yl acetate
SpectraBase Compound ID 1MyUo8LGYug
InChI InChI=1S/C25H38O3S2/c1-16(26)14-18-6-7-19-20-8-9-22(28-17(2)27)24(20,3)11-10-21(19)25(18,4)15-23-29-12-5-13-30-23/h15,18-22H,5-14H2,1-4H3
InChIKey IRQSZQRCQVGXGM-UHFFFAOYSA-N
Mol Weight 450.7 g/mol
Molecular Formula C25H38O3S2
Exact Mass 450.226237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iR2ZlPwZOo
Name ACETIC ACID, 6-[1,3]DITHIAN-2-YLIDENEMETHYL-3A,6-DIMETHYL-7-(2-OXO-PROPYL)-DODECAHYDRO-CYCLOPENTA[A]NAPHTHALEN-3-YL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H38O3S2
InChI InChI=1S/C25H38O3S2/c1-16(26)14-18-6-7-19-20-8-9-22(28-17(2)27)24(20,3)11-10-21(19)25(18,4)15-23-29-12-5-13-30-23/h15,18-22H,5-14H2,1-4H3
InChIKey IRQSZQRCQVGXGM-UHFFFAOYSA-N
Molecular Weight 450.2253
SMILES C(=C1SCCCS1)C1(C(CC(C)=O)CCC2C3CCC(C3(CCC12)C)OC(C)=O)C
SPLASH splash10-052f-8932100000-bb33a1094036add4b2b1
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany