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3(R),5-Dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane
SpectraBase Compound ID 1bnCeUi8TXj
InChI InChI=1S/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3/t16-,17?/m1/s1
InChIKey OELMAFBLFOKZJD-TZHYSIJRSA-N
Mol Weight 376.45 g/mol
Molecular Formula C21H28O6
Exact Mass 376.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CdnGdTzZbt
Name 3(R),5-Dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O6
InChI InChI=1S/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3/t16-,17?/m1/s1
InChIKey OELMAFBLFOKZJD-TZHYSIJRSA-N
Molecular Weight 376.449 g/mol
SMILES Oc1c(cc(CC[C@](CC(CCc2cc(c(cc2)O)OC)O)(O)[H])cc1)OC
SPLASH splash10-000i-0901000000-0274994373fe17b2f11b
Source of Spectrum E1-39-122-5
Synonyms (3R)-1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol
Wiley ID 1518730