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Acetic acid, (phenylseleno)-, dodecahydro-3-methyl-6,9-bis(methylene)-2-oxo-3-(phenylseleno)azuleno[4,5-b]furan-8-yl ester, [3R-(3.alpha.,3a.beta.,6a.beta.,8.alpha.,9a.beta.,9b.alpha.)]-
SpectraBase Compound ID LECeiarmjfD
InChI InChI=1S/C29H30O4Se2/c1-18-14-15-23-27(33-28(31)29(23,3)35-21-12-8-5-9-13-21)26-19(2)24(16-22(18)26)32-25(30)17-34-20-10-6-4-7-11-20/h4-13,22-24,26-27H,1-2,14-17H2,3H3/t22-,23+,24-,26-,27-,29+/m1/s1
InChIKey UERFKAYCRFOCAV-RRUOQXOBSA-N
Mol Weight 600.5 g/mol
Molecular Formula C29H30O4Se2
Exact Mass 602.047453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FolR4NtWadJ
Name Acetic acid, (phenylseleno)-, dodecahydro-3-methyl-6,9-bis(methylene)-2-oxo-3-(phenylseleno)azuleno[4,5-b]furan-8-yl ester, [3R-(3.alpha.,3a.beta.,6a.beta.,8.alpha.,9a.beta.,9b.alpha.)]-
CAS Registry Number 82206-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30O4Se2
InChI InChI=1S/C29H30O4Se2/c1-18-14-15-23-27(33-28(31)29(23,3)35-21-12-8-5-9-13-21)26-19(2)24(16-22(18)26)32-25(30)17-34-20-10-6-4-7-11-20/h4-13,22-24,26-27H,1-2,14-17H2,3H3/t22-,23+,24-,26-,27-,29+/m1/s1
InChIKey UERFKAYCRFOCAV-RRUOQXOBSA-N
Molecular Weight 600.499 g/mol
SMILES [C@]12([C@]3([C@](C[C@](C3=C)(OC(=O)C[Se]c3ccccc3)[H])(C(=C)CC[C@@]2([C@@]([Se]c2ccccc2)(C)C(O1)=O)[H])[H])[H])[H]
SPLASH splash10-05s3-9411001000-27a3884237d2874d3792
Source of Spectrum J-54-1958-41
Synonyms Azuleno[4,5-b]furan, acetic acid deriv. (3S,3aS,6aS,8R,9aS,9bS)-3-methyl-6,9-dimethylene-2-oxo-3-(phenylselanyl)dodecahydroazuleno[4,5-b]furan-8-yl (phenylselanyl)acetate
Wiley ID 1410277