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(11S)-3.alpha.-hydroxy-11.beta.-(phenylseleno)guaia-4(15),10(14)-dieno-12,6.alpha.-lactone
SpectraBase Compound ID 4sGV3bNboiK
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/h4-8,15-19,22H,1-2,9-11H2,3H3/t15-,16+,17+,18-,19-,21-/m0/s1
InChIKey OEWLAANTDRYHQB-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 JMNZ3glhJ25
Name (11S)-3.alpha.-hydroxy-11.beta.-(phenylseleno)guaia-4(15),10(14)-dieno-12,6.alpha.-lactone
CAS Registry Number 82206-88-0
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/h4-8,15-19,22H,1-2,9-11H2,3H3/t15-,16+,17+,18-,19-,21-/m0/s1
InChIKey OEWLAANTDRYHQB-RRFJAZBJSA-N
Molecular Weight 403.392 g/mol
SMILES O[C@]1(C([C@@]2([C@]3(OC(=O)[C@]([C@@]3(CCC([C@@]2(C1)[H])=C)[H])([Se]c1ccccc1)C)[H])[H])=C)[H]
SPLASH splash10-0zi0-7800900000-121231d0015792594824
Source of Spectrum J-54-1956-26
Synonyms (3S,3aR,6aR,8R,9aR,9bR)-8-hydroxy-3-methyl-6,9-dimethylene-3-(phenylselanyl)decahydroazuleno[4,5-b]furan-2(3H)-one
Wiley ID 1371184