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(3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9aoctahydro-5,8a-dimethyl-3-[(pyridin-4-ylsulfanyl)methyl]naphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID KDCeTIwpulQ
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/h5-6,8-10,13,15-16,18H,3-4,7,11-12H2,1-2H3/t13-,15+,16?,18+,20+/m0/s1
InChIKey IACIFKWRQWSLQF-ULHCAKQOSA-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 BCyGtobpI4t
Name (3aR,5S,8aR,9aR)-3a,5,6,7,8,8a,9,9aoctahydro-5,8a-dimethyl-3-[(pyridin-4-ylsulfanyl)methyl]naphtho[2,3-b]furan-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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/h5-6,8-10,13,15-16,18H,3-4,7,11-12H2,1-2H3/t13-,15+,16?,18+,20+/m0/s1
InChIKey IACIFKWRQWSLQF-ULHCAKQOSA-N
Literature Reference DOI 10.1002/cbdv.201000031
Molecular Weight 343.485 g/mol
SMILES C[C@]1(CCC[C@]2(C)C[C@]3(OC(C([C@@]3([H])C=C12)CSc1ccncc1)=O)[H])[H]
SPLASH splash10-0006-2509000000-88a4c60d9da21b88ccb6
Source of Spectrum CBD-7-1694-3g
Synonyms (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-((pyridin-4-ylthio)methyl)-3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Wiley ID 1786481