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Furo[3,4-b][1]benzoxepin-1(3H)-one, 7-bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-, (3a.alpha.,4a.alpha.,7.alpha.,8a.beta.)-(.+-.)-
SpectraBase Compound ID F6654Feeaif
InChI InChI=1S/C15H21BrO3/c1-14(2)11-5-4-9-10(8-18-13(9)17)19-15(11,3)7-6-12(14)16/h4,10-12H,5-8H2,1-3H3/t10-,11+,12+,15+/m0/s1
InChIKey BEMNKPXNGWTBLQ-FUTJPDQTSA-N
Mol Weight 329.23 g/mol
Molecular Formula C15H21BrO3
Exact Mass 328.067408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4r1rSWd7GRS
Name Furo[3,4-b][1]benzoxepin-1(3H)-one, 7-bromo-3a,4a,5,6,7,8,8a,9-octahydro-4a,8,8-trimethyl-, (3a.alpha.,4a.alpha.,7.alpha.,8a.beta.)-(.+-.)-
CAS Registry Number 71883-83-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H21BrO3
InChI InChI=1S/C15H21BrO3/c1-14(2)11-5-4-9-10(8-18-13(9)17)19-15(11,3)7-6-12(14)16/h4,10-12H,5-8H2,1-3H3/t10-,11+,12+,15+/m0/s1
InChIKey BEMNKPXNGWTBLQ-FUTJPDQTSA-N
Molecular Weight 329.234 g/mol
SMILES C1=2C(OC[C@@]1(O[C@@]1(CC[C@](C([C@]1(CC2)[H])(C)C)(Br)[H])C)[H])=O
SPLASH splash10-007x-8920000000-1f6f68a68a0690dcfed2
Source of Spectrum C-104-6707-0
Synonyms (3aR,4aR,7R,8aR)-7-bromo-4a,8,8-trimethyl-3a,4a,5,6,7,8,8a,9-octahydrofuro[3,4-b][1]benzoxepin-1(3H)-one (DL)-12-epiaplysistatin
Wiley ID 1325989