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Atractylone
SpectraBase Compound ID CFO0JXVd1EU
InChI InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1
InChIKey TYPSVDGIQAOBAD-DZGCQCFKSA-N
Mol Weight 216.32 g/mol
Molecular Formula C15H20O
Exact Mass 216.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DK1de2TNq8a
Name (4aS,8aR)-3,8a-Dimethyl-5-methylene-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan
CAS Registry Number 6989-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O
InChI InChI=1S/C15H20O/c1-10-5-4-6-15(3)8-14-12(7-13(10)15)11(2)9-16-14/h9,13H,1,4-8H2,2-3H3/t13-,15+/m0/s1
InChIKey TYPSVDGIQAOBAD-DZGCQCFKSA-N
Molecular Weight 216.324 g/mol
SMILES c12c(occ2C)C[C@@]2([C@@](C1)(C(=C)CCC2)[H])C
SPLASH splash10-066r-0970000000-ea6ff6c1cbc92861e720
Source of Spectrum B-33-930-0
Synonyms (4aS,8aR)-3,8a-dimethyl-5-methylene-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran (4aS,8aR)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzofuran Atractylon Atractyloxide Naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4aS-trans)- Naphtho[2,3-b]furan, 4,4a.alpha.,5,6,7,8,8a,9-octahydro-3,8a.beta.-dimethyl-5-methylene-
Wiley ID 1216034