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(2-R)-8-METHYLSOCOTRIN-4'-OL;(2-R)-2-(4-HYDROXYPHENYL)-6-[1-(4-HYDROXYPHENYL)-3-(4-HYDROXY-2-METHOXYPHENYL)-PROPYL]-8-METHYLCHROMAN-7-OL
SpectraBase Compound ID HpNiixefU2x
InChI InChI=1S/C32H32O6/c1-19-31(36)28(17-23-9-16-29(38-32(19)23)21-5-12-25(34)13-6-21)27(20-3-10-24(33)11-4-20)15-8-22-7-14-26(35)18-30(22)37-2/h3-7,10-14,17-18,27,29,33-36H,8-9,15-16H2,1-2H3/t27?,29-/m1/s1
InChIKey ZYNHARKRZSKBAU-ZBAATNBSSA-N
Mol Weight 512.6 g/mol
Molecular Formula C32H32O6
Exact Mass 512.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5F64i6rY2Qz
Name (2R)-2-(4-hydroxyphenyl)-6-[1-(4-hydroxyphenyl)-3-(4-hydroxy-2- methoxyphenyl)propyl]-8-methylchroman-7-ol
Appearance Pale yellow, amorphous powder;
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Formula C32H32O6
InChI InChI=1S/C32H32O6/c1-19-31(36)28(17-23-9-16-29(38-32(19)23)21-5-12-25(34)13-6-21)27(20-3-10-24(33)11-4-20)15-8-22-7-14-26(35)18-30(22)37-2/h3-7,10-14,17-18,27,29,33-36H,8-9,15-16H2,1-2H3/t27?,29-/m1/s1
InChIKey ZYNHARKRZSKBAU-ZBAATNBSSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np070260v
Molecular Weight 512.602 g/mol
Optical Rotation [a]D20 = +1.0 (c = 0.10, CH3OH
Reported Formula C32H32O6
SMILES Oc1ccc(C(c2cc3c(c(c2O)C)O[C@](CC3)(c2ccc(cc2)O)[H])CCc2c(cc(cc2)O)OC)cc1
SPLASH splash10-06dr-0920000000-a44330f409e2a8508456
Source of Spectrum G4-70-1576-5
Synonyms (2R)-8-Methylsocotrin-4'-ol
Wiley ID 1874337