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2,11-Dioxatricyclo[13.2.2.13,7]eicosa-3,5,7(20),15,17,18-hexaen-10-one, 4,13-dihydroxy-, (S)-
SpectraBase Compound ID 6nWc8nu1fDJ
InChI InChI=1S/C18H18O5/c19-14-9-12-1-5-15(6-2-12)23-17-10-13(3-7-16(17)20)4-8-18(21)22-11-14/h1-3,5-7,10,14,19-20H,4,8-9,11H2/t14-/m0/s1
InChIKey VMJUIFKOEFPFOZ-AWEZNQCLSA-N
Mol Weight 314.34 g/mol
Molecular Formula C18H18O5
Exact Mass 314.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp3ZZdv7HId
Name 2,11-Dioxatricyclo[13.2.2.13,7]eicosa-3,5,7(20),15,17,18-hexaen-10-one, 4,13-dihydroxy-, (S)-
CAS Registry Number 126191-25-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O5
InChI InChI=1S/C18H18O5/c19-14-9-12-1-5-15(6-2-12)23-17-10-13(3-7-16(17)20)4-8-18(21)22-11-14/h1-3,5-7,10,14,19-20H,4,8-9,11H2/t14-/m0/s1
InChIKey VMJUIFKOEFPFOZ-AWEZNQCLSA-N
Molecular Weight 314.337 g/mol
SMILES O[C@]1(Cc2ccc(Oc3c(ccc(CCC(OC1)=O)c3)O)cc2)[H]
SPLASH splash10-03mi-0089000000-4ac41f5320a9d1f9e057
Source of Spectrum J-55-2799-5
Synonyms (13S)-4,13-dihydroxy-2,11-dioxatricyclo[13.2.2.1(3,7)]icosa-1(17),3(20),4,6,15,18-hexaen-10-one 3-Hydroxy-3,4-deoxycombretastin D-1
Wiley ID 1315104