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3.alpha.-hydroxy-11.beta.-(phenylseleno)guaia-1(10),4(15)-dieno-12,6.alpha.-lactone
SpectraBase Compound ID 1nUOIC4lgaM
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/h4-8,16-19,22H,2,9-11H2,1,3H3/t16-,17-,18+,19+,21+/m1/s1
InChIKey UNPPPFNCUVSPOZ-AGRFSFNASA-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 JXsHk1kdxZM
Name 3.alpha.-hydroxy-11.beta.-(phenylseleno)guaia-1(10),4(15)-dieno-12,6.alpha.-lactone
Alternate Name(s) (3S,3aR,8R,9aR,9bR)-8-hydroxy-3,6-dimethyl-9-methylene-3-(phenylselanyl)-3a,4,5,7,8,9,9a,9b-octahydroazuleno[4,5-b]furan-2(3H)-one
CAS Registry Number 119273-11-9
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/h4-8,16-19,22H,2,9-11H2,1,3H3/t16-,17-,18+,19+,21+/m1/s1
InChIKey UNPPPFNCUVSPOZ-AGRFSFNASA-N
Molecular Weight 403.392 g/mol
SMILES O[C@@]1(CC=2[C@@]([C@]3(OC(=O)[C@]([C@@]3(CCC2C)[H])([Se]c2ccccc2)C)[H])(C1=C)[H])[H]
SPLASH splash10-0udi-0170900000-6e8b77894733559c84dd
Source of Spectrum J-54-1957-33
Wiley ID 1371185