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Acetic acid, (phenylseleno)-, 2,3,3a,4,5,7,8,9,9a,9b-decahydro-3,6-dimethyl-9-methylene-2-oxo-3-(phenylseleno)azuleno[4,5-b]furan-8-yl ester, [3R-(3.alpha.,3a.beta.,8.alpha.,9a.beta.,9b.alpha.)]-
SpectraBase Compound ID 7AeimUwjq88
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/h4-13,23-24,26-27H,2,14-17H2,1,3H3/t23-,24+,26+,27+,29-/m0/s1
InChIKey JGSAFQZCDIUHHZ-VFCMGGPDSA-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 Llj1vkXXWw8
Name Acetic acid, (phenylseleno)-, 2,3,3a,4,5,7,8,9,9a,9b-decahydro-3,6-dimethyl-9-methylene-2-oxo-3-(phenylseleno)azuleno[4,5-b]furan-8-yl ester, [3R-(3.alpha.,3a.beta.,8.alpha.,9a.beta.,9b.alpha.)]-
CAS Registry Number 82206-99-3
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/h4-13,23-24,26-27H,2,14-17H2,1,3H3/t23-,24+,26+,27+,29-/m0/s1
InChIKey JGSAFQZCDIUHHZ-VFCMGGPDSA-N
Molecular Weight 600.499 g/mol
SMILES C=12[C@]([C@@]3(OC(=O)[C@]([C@@]3([H])CCC1C)([Se]c1ccccc1)C)[H])(C(=C)[C@@](C2)(OC(=O)C[Se]c1ccccc1)[H])[H]
SPLASH splash10-0a7l-9321000000-e5445f568eb3ecc133c2
Source of Spectrum J-54-1958-41
Synonyms Azuleno[4,5-b]furan, acetic acid deriv. (3S,3aS,8R,9aS,9bS)-3,6-dimethyl-9-methylene-2-oxo-3-(phenylselanyl)-2,3,3a,4,5,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-8-yl (phenylselanyl)acetate
Wiley ID 1410276