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Acetic acid, (phenylseleno)-, 2,3,3a,4,6a,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.,6a.beta.,8.alpha.,9a.beta.,9b.alpha.)]-
SpectraBase Compound ID JiGUz5JwtuC
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/h4-14,22-24,26-27H,2,15-17H2,1,3H3/t22-,23+,24-,26-,27-,29+/m1/s1
InChIKey PWXDWXISQWKXQT-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 BWCVCIMP5pb
Name Acetic acid, (phenylseleno)-, 2,3,3a,4,6a,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.,6a.beta.,8.alpha.,9a.beta.,9b.alpha.)]-
CAS Registry Number 82206-94-8
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/h4-14,22-24,26-27H,2,15-17H2,1,3H3/t22-,23+,24-,26-,27-,29+/m1/s1
InChIKey PWXDWXISQWKXQT-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 splash10-004i-9420001000-f4b669ae2c57f3319a47
Source of Spectrum J-54-1958-41
Synonyms Azuleno[4,5-b]furan, acetic acid deriv. (3S,3aS,6aS,8R,9aS,9bS)-3,6-dimethyl-9-methylene-2-oxo-3-(phenylselanyl)-2,3,3a,4,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-8-yl (phenylselanyl)acetate
Wiley ID 1410275