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(5R*,8S*,8aR*,9R*,10S*,10aS*)-4,9,10-Trihydroxy-1-(8'-hydroxynaphthalen-1'-yloxy)-5,8,8a,9,10,10a-hexahydro-5,8-methanoanthracene
SpectraBase Compound ID Ky9UpbZp99E
InChI InChI=1S/C25H22O5/c26-15-5-1-3-12-4-2-6-17(19(12)15)30-18-10-9-16(27)22-23(18)25(29)21-14-8-7-13(11-14)20(21)24(22)28/h1-10,13-14,20-21,24-29H,11H2/t13-,14+,20-,21+,24-,25+/m0/s1
InChIKey LVBGOSARKGVQHV-SSWOBMOUSA-N
Mol Weight 402.45 g/mol
Molecular Formula C25H22O5
Exact Mass 402.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5unH7nhVmB8
Name (5R*,8S*,8aR*,9R*,10S*,10aS*)-4,9,10-Trihydroxy-1-(8'-hydroxynaphthalen-1'-yloxy)-5,8,8a,9,10,10a-hexahydro-5,8-methanoanthracene
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Formula C25H22O5
InChI InChI=1S/C25H22O5/c26-15-5-1-3-12-4-2-6-17(19(12)15)30-18-10-9-16(27)22-23(18)25(29)21-14-8-7-13(11-14)20(21)24(22)28/h1-10,13-14,20-21,24-29H,11H2/t13-,14+,20-,21+,24-,25+/m0/s1
InChIKey LVBGOSARKGVQHV-SSWOBMOUSA-N
Molecular Weight 402.446 g/mol
SMILES O[C@]1([C@@]2([C@]([C@](c3c1c(ccc3Oc1c3c(O)cccc3ccc1)O)(O)[H])([C@]1(C[C@]2([H])C=C1)[H])[H])[H])[H]
SPLASH splash10-02t9-0009000000-44f93450d52269c292b8
Source of Spectrum J-65-6333-29
Synonyms (1R,2S,3S,10R,11R,12S)-8-[(8-hydroxy-1-naphthyl)oxy]tetracyclo[10.2.1.0(2,11).0(4,9)]pentadeca-4,6,8,13-tetraene-3,5,10-triol
Wiley ID 1533266