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trans-3,4-Dihydroxy-anti-1,2-epoxy-1,2,3,4-tetrahydrobenzo[s]picene
SpectraBase Compound ID EveDE2NqSVp
InChI InChI=1S/C26H18O3/c27-23-19-12-11-18-17-10-9-13-5-1-2-6-14(13)20(17)15-7-3-4-8-16(15)21(18)22(19)25-26(29-25)24(23)28/h1-12,23-28H/t23?,24?,25-,26-/m1/s1
InChIKey NGASRDACJOOJMT-CVQXOBEKSA-N
Mol Weight 378.43 g/mol
Molecular Formula C26H18O3
Exact Mass 378.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72UrjouFXe5
Name trans-3,4-Dihydroxy-anti-1,2-epoxy-1,2,3,4-tetrahydrobenzo[s]picene
Comments Less than 3 mono-isotopic peaks
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Formula C26H18O3
InChI InChI=1S/C26H18O3/c27-23-19-12-11-18-17-10-9-13-5-1-2-6-14(13)20(17)15-7-3-4-8-16(15)21(18)22(19)25-26(29-25)24(23)28/h1-12,23-28H/t23?,24?,25-,26-/m1/s1
InChIKey NGASRDACJOOJMT-CVQXOBEKSA-N
Molecular Weight 378.427 g/mol
SMILES OC1[C@@]2([C@@](c3c4c(ccc3C1O)c1ccc3c(c1c1c4cccc1)cccc3)(O2)[H])[H]
SPLASH splash10-0ufr-0905000000-9425c851418cd14532fb
Source of Spectrum J-63-6407-5
Synonyms (1aR,15dR)-1a,2,3,15d-tetrahydrobenzo[13,14]piceno[1,2-b]oxirene-2,3-diol
Wiley ID 1359067