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.beta.-Cyclocostunolide

View entire compound with spectra: 2 MS (GC)

.beta.-Cyclocostunolide
SpectraBase Compound ID 3WkeO1ZMQH3
InChI InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1
InChIKey XUYAKPXYKQEFPD-SFDCQRBFSA-N
Mol Weight 232.32 g/mol
Molecular Formula C15H20O2
Exact Mass 232.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTACT02136T
Name (3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-2-one
CAS Registry Number 2221-82-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2
InChI InChI=1S/C15H20O2/c1-9-5-4-7-15(3)8-6-11-10(2)14(16)17-13(11)12(9)15/h11-13H,1-2,4-8H2,3H3/t11-,12+,13-,15+/m0/s1
InChIKey XUYAKPXYKQEFPD-SFDCQRBFSA-N
Molecular Weight 232.323 g/mol
SMILES [C@]12(OC(=O)C([C@@]2(CC[C@@]2([C@@]1(C(=C)CCC2)[H])C)[H])=C)[H]
SPLASH splash10-017i-3290000000-ae38d6b7593c92b08842
Source of Spectrum AJ-56-1122-1
Synonyms (3aS,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one .beta.-Cyclocostunolide
Wiley ID 1234245