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4-ALPHA-BENZYL-5-HYDROXY-3-BETA-PHENYL-3,4,6,11-TETRAHYDRO-2H-ANTHRA-[2.3-B]-PYRAN-2,6,11-TRIONE
SpectraBase Compound ID IGAeSQ2y8JT
InChI InChI=1S/C30H20O5/c31-27-19-13-7-8-14-20(19)28(32)26-22(27)16-23-25(29(26)33)21(15-17-9-3-1-4-10-17)24(30(34)35-23)18-11-5-2-6-12-18/h1-14,16,21,24,33H,15H2/t21-,24-/m1/s1
InChIKey VCHBLEVQGQYYMV-ZJSXRUAMSA-N
Mol Weight 460.49 g/mol
Molecular Formula C30H20O5
Exact Mass 460.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Vr1ib4I6F2
Name 2H-Anthra[2,3-b]pyran-2,6,11-trione, 3,4-dihydro-5-hydroxy-3-phenyl-4-(phenylmethyl)-, trans-(.+-.)-
Alternate Name(s) (3S,4R)-4-benzyl-5-hydroxy-3-phenyl-3,4-dihydro-2H-naphtho[2,3-g]chromene-2,6,11-trione 4-Benzyl-5-hydroxy-3-phenyl-2,6,11-trihydro-4H-anthra(2,3-b)pyran-2,6,11-trione
CAS Registry Number 74179-32-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H20O5
InChI InChI=1S/C30H20O5/c31-27-19-13-7-8-14-20(19)28(32)26-22(27)16-23-25(29(26)33)21(15-17-9-3-1-4-10-17)24(30(34)35-23)18-11-5-2-6-12-18/h1-14,16,21,24,33H,15H2/t21-,24-/m1/s1
InChIKey VCHBLEVQGQYYMV-ZJSXRUAMSA-N
Molecular Weight 460.485 g/mol
SMILES Oc1c2c(OC([C@@]([C@]2(Cc2ccccc2)[H])(c2ccccc2)[H])=O)cc2c1C(c1c(cccc1)C2=O)=O
SPLASH splash10-014i-1009000000-d515dc03699a8a0bc112
Source of Spectrum B-32-2687-0
Wiley ID 1390639