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2H-Anthra[2,3-b]pyran-6,11-dione, 3,4-dihydro-2,5-dihydroxy-3-phenyl-4-(phenylmethyl)-, (2.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID GrZnp1KzBXD
InChI InChI=1S/C30H22O5/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/h1-14,16,21,24,30,33-34H,15H2/t21-,24-,30-/m1/s1
InChIKey RIEHIGFNLZYNCI-OSOUPTDBSA-N
Mol Weight 462.5 g/mol
Molecular Formula C30H22O5
Exact Mass 462.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoLcEg5N5fW
Name 2H-Anthra[2,3-b]pyran-6,11-dione, 3,4-dihydro-2,5-dihydroxy-3-phenyl-4-(phenylmethyl)-, (2.alpha.,3.beta.,4.alpha.)-(.+-.)-
Alternate Name(s) (2R,3S,4R)-4-benzyl-2,5-dihydroxy-3-phenyl-3,4-dihydro-2H-naphtho[2,3-g]chromene-6,11-dione 4.alpha.-benzyl-2.alpha.,5-dihydroxy-3.beta.-phenyl-3,4,6,-tetrahydro-2H-anthra(2,3,b)pyran-6,11-dione
CAS Registry Number 74179-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22O5
InChI InChI=1S/C30H22O5/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/h1-14,16,21,24,30,33-34H,15H2/t21-,24-,30-/m1/s1
InChIKey RIEHIGFNLZYNCI-OSOUPTDBSA-N
Molecular Weight 462.501 g/mol
SMILES Oc1c2[C@@]([C@]([C@@](Oc2cc2c1C(c1c(C2=O)cccc1)=O)(O)[H])(c1ccccc1)[H])(Cc1ccccc1)[H]
SPLASH splash10-006x-4009000000-205555b6d10dcc6b9f0e
Source of Spectrum B-32-2687-0
Wiley ID 1391192