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MAGNOVATIN_A;REL-(7-S,8-R,8'-R)-3,4:3',4'-BIS-(METHYLENEDIOXY)-LIGNAN-7-OL

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MAGNOVATIN_A;REL-(7-S,8-R,8'-R)-3,4:3',4'-BIS-(METHYLENEDIOXY)-LIGNAN-7-OL
SpectraBase Compound ID JE1pf7IFd9N
InChI InChI=1S/C20H22O5/c1-12(7-14-3-5-16-18(8-14)24-10-22-16)13(2)20(21)15-4-6-17-19(9-15)25-11-23-17/h3-6,8-9,12-13,20-21H,7,10-11H2,1-2H3/t12-,13-,20+/m1/s1
InChIKey SDXLCXZRXWWAGW-IZDJOXEWSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fs7cyzWZkNb
Name Magnovatin A
Alternate Name(s) (1S,2R,3R)-1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethyl-1-butanol (1S,2R,3R)-1,4-bis(1,3-benzodioxol-5-yl)-2,3-dimethylbutan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-12(7-14-3-5-16-18(8-14)24-10-22-16)13(2)20(21)15-4-6-17-19(9-15)25-11-23-17/h3-6,8-9,12-13,20-21H,7,10-11H2,1-2H3/t12-,13-,20+/m1/s1
InChIKey SDXLCXZRXWWAGW-IZDJOXEWSA-N
Molecular Weight 342.391 g/mol
SMILES O[C@](c1cc2c(OCO2)cc1)([C@@]([C@@](Cc1cc2OCOc2cc1)(C)[H])(C)[H])[H]
SPLASH splash10-0w29-0901000000-8e64e9ba698d10670d80
Source of Spectrum G4-72-1531-1
Wiley ID 1702207