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3.alpha.-hydroxy-11.beta.-(phenylseleno)guaia-4(15),9-dieno-12,6.alpha.-lactone
SpectraBase Compound ID 5wb04Y9h0k1
InChI InChI=1S/C21H24O3Se/c1-12-9-10-16-19(18-13(2)17(22)11-15(12)18)24-20(23)21(16,3)25-14-7-5-4-6-8-14/h4-9,15-19,22H,2,10-11H2,1,3H3/t15-,16+,17+,18-,19-,21-/m0/s1
InChIKey XEGKWTKNANQKES-RRFJAZBJSA-N
Mol Weight 403.39 g/mol
Molecular Formula C21H24O3Se
Exact Mass 404.089067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IiLI7SPZJSk
Name 3.alpha.-hydroxy-11.beta.-(phenylseleno)guaia-4(15),9-dieno-12,6.alpha.-lactone
CAS Registry Number 119273-12-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O3Se
InChI InChI=1S/C21H24O3Se/c1-12-9-10-16-19(18-13(2)17(22)11-15(12)18)24-20(23)21(16,3)25-14-7-5-4-6-8-14/h4-9,15-19,22H,2,10-11H2,1,3H3/t15-,16+,17+,18-,19-,21-/m0/s1
InChIKey XEGKWTKNANQKES-RRFJAZBJSA-N
Molecular Weight 403.392 g/mol
SMILES O[C@]1(C([C@@]2([C@]3(OC(=O)[C@]([C@@]3(CC=C([C@@]2(C1)[H])C)[H])([Se]c1ccccc1)C)[H])[H])=C)[H]
SPLASH splash10-0f7k-1290400000-9adb580e124ea1f870c9
Source of Spectrum J-54-1957-34
Synonyms (3S,3aR,6aR,8R,9aR,9bR)-8-hydroxy-3,6-dimethyl-9-methylene-3-(phenylselanyl)-3a,4,6a,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one
Wiley ID 1371186