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cis-11-phenylseleno-13-nor-elemasteiractinolide

View entire compound with spectra: 1 MS (GC)

cis-11-phenylseleno-13-nor-elemasteiractinolide
SpectraBase Compound ID Ch90HIAXh9g
InChI InChI=1S/C20H24O2Se/c1-5-20(4)12-17-15(11-16(20)13(2)3)18(19(21)22-17)23-14-9-7-6-8-10-14/h5-10,15-18H,1-2,11-12H2,3-4H3/t15-,16-,17+,18?,20-/m0/s1
InChIKey NFHVKAOWTNYKCO-PXKYIRMRSA-N
Mol Weight 375.38 g/mol
Molecular Formula C20H24O2Se
Exact Mass 376.094152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ltaIPdBniJ
Name cis-11-phenylseleno-13-nor-elemasteiractinolide
Alternate Name(s) (3R,3aS,5S,6R,7aR)-5-isopropenyl-6-methyl-3-(phenylselanyl)-6-vinylhexahydro-1-benzofuran-2(3H)-one
CAS Registry Number 121401-35-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O2Se
InChI InChI=1S/C20H24O2Se/c1-5-20(4)12-17-15(11-16(20)13(2)3)18(19(21)22-17)23-14-9-7-6-8-10-14/h5-10,15-18H,1-2,11-12H2,3-4H3/t15-,16-,17+,18?,20-/m0/s1
InChIKey NFHVKAOWTNYKCO-PXKYIRMRSA-N
Molecular Weight 375.382 g/mol
SMILES [C@@]12(C(C(=O)O[C@@]2(C[C@@]([C@@](C1)(C(=C)C)[H])(C=C)C)[H])[Se]c1ccccc1)[H]
SPLASH splash10-0aor-0982000000-24886dadc322e92dc496
Source of Spectrum F-44-1385-14
Wiley ID 1357653