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(3.alpha.,3'.alpha.,4.beta.,4'.beta.)-3,3'-Dimethoxy-cis-[4,4'-bis(3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran)]-5,5',10,10'-tetraone

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(3.alpha.,3'.alpha.,4.beta.,4'.beta.)-3,3'-Dimethoxy-cis-[4,4'-bis(3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran)]-5,5',10,10'-tetraone
SpectraBase Compound ID 8walgnGoM3J
InChI InChI=1S/C28H22O8/c1-33-27-21(19-17(11-35-27)23(29)13-7-3-5-9-15(13)25(19)31)22-20-18(12-36-28(22)34-2)24(30)14-8-4-6-10-16(14)26(20)32/h3-10,21-22,27-28H,11-12H2,1-2H3/t21-,22-,27+,28+/m1/s1
InChIKey KHPVSHARXQUBMH-BIQRORRISA-N
Mol Weight 486.48 g/mol
Molecular Formula C28H22O8
Exact Mass 486.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ajtq3E13IZu
Name (3.alpha.,3'.alpha.,4.beta.,4'.beta.)-3,3'-Dimethoxy-cis-[4,4'-bis(3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran)]-5,5',10,10'-tetraone
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22O8
InChI InChI=1S/C28H22O8/c1-33-27-21(19-17(11-35-27)23(29)13-7-3-5-9-15(13)25(19)31)22-20-18(12-36-28(22)34-2)24(30)14-8-4-6-10-16(14)26(20)32/h3-10,21-22,27-28H,11-12H2,1-2H3/t21-,22-,27+,28+/m1/s1
InChIKey KHPVSHARXQUBMH-BIQRORRISA-N
Instrument Name Varian MAT 112
Ionization Type EI
Literature Reference DOI 10.1021/np020110e
Molecular Weight 486.476 g/mol
Optical Rotation [a]D21 = -8.6 (c = 0.29, CHCl3)
SMILES c12ccccc2C(=O)C=2[C@]([H])([C@@]3([H])C=4C(=O)c5ccccc5C(=O)C4CO[C@@]3(OC)[H])[C@](OCC2C1=O)(OC)[H]
SPLASH splash10-066u-9838000000-d5cd91d1b17d615202e2
Source of Spectrum G4-65-1378-1
Wiley ID 1883863