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De-A,B-25,25-(ethylenedioxy)-27-norcholest-8-en-8-yl Trifluoromethanesulphonate
SpectraBase Compound ID 8fVKtRxbBIr
InChI InChI=1S/C20H31F3O5S/c1-4-19(26-12-13-27-19)11-9-14(2)15-7-8-16-17(6-5-10-18(15,16)3)28-29(24,25)20(21,22)23/h6,14-16H,4-5,7-13H2,1-3H3/t14-,15-,16+,18-/m1/s1
InChIKey VRWPDLKZRHZYBZ-XLMAVXFVSA-N
Mol Weight 440.52 g/mol
Molecular Formula C20H31F3O5S
Exact Mass 440.18443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QjPznaekty
Name De-A,B-25,25-(ethylenedioxy)-27-norcholest-8-en-8-yl Trifluoromethanesulphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31F3O5S
InChI InChI=1S/C20H31F3O5S/c1-4-19(26-12-13-27-19)11-9-14(2)15-7-8-16-17(6-5-10-18(15,16)3)28-29(24,25)20(21,22)23/h6,14-16H,4-5,7-13H2,1-3H3/t14-,15-,16+,18-/m1/s1
InChIKey VRWPDLKZRHZYBZ-XLMAVXFVSA-N
Molecular Weight 440.518 g/mol
SMILES C(S(OC=1[C@]2([C@]([C@]([C@@](CCC3(OCCO3)CC)(C)[H])([H])CC2)(C)CCC1)[H])(=O)=O)(F)(F)F
SPLASH splash10-000i-9000000000-c203d56cabf31e239078
Source of Spectrum F-47-3495-3
Synonyms (1R,3aR,7aR)-1-[(1R)-3-(2-ethyl-1,3-dioxolan-2-yl)-1-methylpropyl]-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl trifluoromethanesulfonate
Wiley ID 1384584