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3,5-Dichloro-2'-O-methylnorstenosporic acid
SpectraBase Compound ID 4m4scmwxxW2
InChI InChI=1S/C23H26Cl2O7/c1-4-6-7-9-12-10-13(11-15(31-3)16(12)22(28)29)32-23(30)17-14(8-5-2)18(24)21(27)19(25)20(17)26/h10-11,26-27H,4-9H2,1-3H3,(H,28,29)
InChIKey OOUWKIKXHBTLMQ-UHFFFAOYSA-N
Mol Weight 485.36 g/mol
Molecular Formula C23H26Cl2O7
Exact Mass 484.105559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYArMdS1y43
Name 3,5-Dichloro-2'-O-methylnorstenosporic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26Cl2O7
InChI InChI=1S/C23H26Cl2O7/c1-4-6-7-9-12-10-13(11-15(31-3)16(12)22(28)29)32-23(30)17-14(8-5-2)18(24)21(27)19(25)20(17)26/h10-11,26-27H,4-9H2,1-3H3,(H,28,29)
InChIKey OOUWKIKXHBTLMQ-UHFFFAOYSA-N
Molecular Weight 485.360 g/mol
SMILES Oc1c(c(c(C(Oc2cc(c(C(=O)O)c(c2)OC)CCCCC)=O)c(c1Cl)CCC)O)Cl
SPLASH splash10-0019-0920000000-eefa878dfa2036b8400f
Source of Spectrum JA-50-971-0
Synonyms 4-(3',5'-Dichloro-2',4'-dihydroxy-6'-propylbenzoyloxy)-2-methoxy-6-pentylbenzoic acid 4-[(3,5-dichloro-2,4-dihydroxy-6-propylbenzoyl)oxy]-2-methoxy-6-pentylbenzoic acid
Wiley ID 1395945