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(3aR,4aS,8aR,9aR)-decahydro-8a-methyl-5-methylidene-3-[(pyridin-4-ylsulfanyl)methyl]naphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID 3sQb31VketT
InChI InChI=1S/C20H25NO2S/c1-13-4-3-7-20(2)11-18-15(10-17(13)20)16(19(22)23-18)12-24-14-5-8-21-9-6-14/h5-6,8-9,15-18H,1,3-4,7,10-12H2,2H3/t15-,16?,17+,18-,20-/m1/s1
InChIKey CJDGAZSCJXHBHJ-UNEYCJDPSA-N
Mol Weight 343.49 g/mol
Molecular Formula C20H25NO2S
Exact Mass 343.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FqBJHaiMVz
Name (3aR,4aS,8aR,9aR)-decahydro-8a-methyl-5-methylidene-3-[(pyridin-4-ylsulfanyl)methyl]naphtho[2,3-b]furan-2(3H)-one
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Formula C20H25NO2S
InChI InChI=1S/C20H25NO2S/c1-13-4-3-7-20(2)11-18-15(10-17(13)20)16(19(22)23-18)12-24-14-5-8-21-9-6-14/h5-6,8-9,15-18H,1,3-4,7,10-12H2,2H3/t15-,16?,17+,18-,20-/m1/s1
InChIKey CJDGAZSCJXHBHJ-UNEYCJDPSA-N
Literature Reference DOI 10.1002/cbdv.201000031
Molecular Weight 343.485 g/mol
SMILES C=C1CCC[C@@]2(C[C@]3(OC(C([C@@]3([H])C[C@@]12[H])CSc1ccncc1)=O)[H])C
SPLASH splash10-0006-1709000000-d90367b072b7c59ca84f
Source of Spectrum CBD-7-1693-4g
Synonyms (3aR,4aS,8aR,9aR)-8a-methyl-5-methylene-3-((pyridin-4-ylthio)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Wiley ID 1786493