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cis-5-Hydroxy-4-methoxy-6-phenylsulfanyl-6b,9a-dihydrofuro[3,2-b]naphtho[2,1-d]furan-8(9H)-one
SpectraBase Compound ID JlSfsu286iy
InChI InChI=1S/C21H16O5S/c1-24-13-9-5-8-12-16(13)18(23)21(27-11-6-3-2-4-7-11)17-19(12)25-14-10-15(22)26-20(14)17/h2-9,14,20,23H,10H2,1H3/t14-,20+/m1/s1
InChIKey NCRAMSFWMMQIHG-VLIAUNLRSA-N
Mol Weight 380.41 g/mol
Molecular Formula C21H16O5S
Exact Mass 380.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EI7qbN65N4c
Name cis-5-Hydroxy-4-methoxy-6-phenylsulfanyl-6b,9a-dihydrofuro[3,2-b]naphtho[2,1-d]furan-8(9H)-one
Comments Less than 3 mono-isotopic peaks
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Formula C21H16O5S
InChI InChI=1S/C21H16O5S/c1-24-13-9-5-8-12-16(13)18(23)21(27-11-6-3-2-4-7-11)17-19(12)25-14-10-15(22)26-20(14)17/h2-9,14,20,23H,10H2,1H3/t14-,20+/m1/s1
InChIKey NCRAMSFWMMQIHG-VLIAUNLRSA-N
Molecular Weight 380.414 g/mol
SMILES Oc1c(c2c(O[C@]3([C@@]2(OC(=O)C3)[H])[H])c2cccc(c12)OC)Sc1ccccc1
SPLASH splash10-001i-0009000000-b46429ede6160e8bcbbd
Source of Spectrum KC-0-3112-10
Synonyms (6bR,9aR)-5-hydroxy-4-methoxy-6-(phenylsulfanyl)-9,9a-dihydrofuro[3,2-b]naphtho[2,1-d]furan-8(6bH)-one
Wiley ID 782492