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trans-11-phenylseleno-11.alpha.,13-dihydroelemasteiractinolide
SpectraBase Compound ID 9GXSQ7egOAU
InChI InChI=1S/C21H26O2Se/c1-6-20(4)13-18-17(12-16(20)14(2)3)21(5,19(22)23-18)24-15-10-8-7-9-11-15/h6-11,16-18H,1-2,12-13H2,3-5H3/t16-,17+,18-,20+,21?/m0/s1
InChIKey UJTASIWQPVDZQL-MYTGEXCLSA-N
Mol Weight 389.41 g/mol
Molecular Formula C21H26O2Se
Exact Mass 390.109802 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JoKpe6Haj8J
Name trans-11-phenylseleno-11.alpha.,13-dihydroelemasteiractinolide
CAS Registry Number 121401-16-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2Se
InChI InChI=1S/C21H26O2Se/c1-6-20(4)13-18-17(12-16(20)14(2)3)21(5,19(22)23-18)24-15-10-8-7-9-11-15/h6-11,16-18H,1-2,12-13H2,3-5H3/t16-,17+,18-,20+,21?/m0/s1
InChIKey UJTASIWQPVDZQL-MYTGEXCLSA-N
Molecular Weight 389.409 g/mol
SMILES C1([C@]2([C@](C[C@]([C@@](C2)(C(=C)C)[H])(C=C)C)(OC1=O)[H])[H])([Se]c1ccccc1)C
SPLASH splash10-0bvl-9110000000-3fc898d2b22968b144d6
Source of Spectrum F-44-1385-18
Synonyms (3R,3aR,5S,6S,7aS)-5-isopropenyl-3,6-dimethyl-3-(phenylselanyl)-6-vinylhexahydro-1-benzofuran-2(3H)-one
Wiley ID 1364777