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TSP-4 [(3R)-(-)-Mucronulatol, (3R)-(-)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan]

View entire compound with spectra: 1 MS (GC)

TSP-4 [(3R)-(-)-Mucronulatol, (3R)-(-)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan]
SpectraBase Compound ID AcgscTZVsld
InChI InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m0/s1
InChIKey NUNFZNIXYWTZMW-NSHDSACASA-N
Mol Weight 302.33 g/mol
Molecular Formula C17H18O5
Exact Mass 302.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPuKvF6r6dD
Name TSP-4 [(3R)-(-)-Mucronulatol, (3R)-(-)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan]
Alternate Name(s) (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol (3R)-3-(3-hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (3R)-3-(2,4-dimethoxy-3-oxidanyl-phenyl)-3,4-dihydro-2H-chromen-7-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O5
InChI InChI=1S/C17H18O5/c1-20-14-6-5-13(17(21-2)16(14)19)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3/t11-/m0/s1
InChIKey NUNFZNIXYWTZMW-NSHDSACASA-N
Molecular Weight 302.326 g/mol
SMILES Oc1ccc2C[C@](c3c(c(c(cc3)OC)O)OC)(COc2c1)[H]
SPLASH splash10-001i-0903000000-a8d07f9dc5b1cd1e0fdb
Source of Spectrum Y1-37-1217-4
Wiley ID 1527534