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Acetic acid, 7-acetoxymethyl-8-[1,3]dithian-2-ylidenemethyl-4A,7-dimethyl-1,2,3,4,4A,4B,5,6,7,8,8A,9-dodecahydro-phenanthren-2-yl est

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Acetic acid, 7-acetoxymethyl-8-[1,3]dithian-2-ylidenemethyl-4A,7-dimethyl-1,2,3,4,4A,4B,5,6,7,8,8A,9-dodecahydro-phenanthren-2-yl est
SpectraBase Compound ID 7SWqFN1h8nf
InChI InChI=1S/C23H34O2S2.C3H6O2/c1-15-5-8-21-19(20(15)14-22-26-11-4-12-27-22)7-6-17-13-18(25-16(2)24)9-10-23(17,21)3;1-3(4)5-2/h6,14-15,18-21H,4-5,7-13H2,1-3H3;1-2H3
InChIKey SZNVKNFIMITPFP-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C26H40O4S2
Exact Mass 480.236802 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCCf4zc0bhb
Name Acetic acid, 7-acetoxymethyl-8-[1,3]dithian-2-ylidenemethyl-4A,7-dimethyl-1,2,3,4,4A,4B,5,6,7,8,8A,9-dodecahydro-phenanthren-2-yl est
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.236802112 u
Formula C26H40O4S2
InChI InChI=1S/C23H34O2S2.C3H6O2/c1-15-5-8-21-19(20(15)14-22-26-11-4-12-27-22)7-6-17-13-18(25-16(2)24)9-10-23(17,21)3;1-3(4)5-2/h6,14-15,18-21H,4-5,7-13H2,1-3H3;1-2H3
InChIKey SZNVKNFIMITPFP-UHFFFAOYSA-N
Molecular Weight 480.722 g/mol
Nominal Mass 480 u
SMILES COC(=O)C.C1=2CC(CCC1(C1C(CC2)C(C(CC1)C)C=C1SCCCS1)C)OC(C)=O