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Isoplagiochin C
SpectraBase Compound ID yAQlpBP8tU
InChI InChI=1S/C28H22O4/c29-21-8-10-22-20(16-21)7-3-18-6-12-27(31)25(14-18)24-13-17(5-11-26(24)30)1-2-19-4-9-23(22)28(32)15-19/h1-2,4-6,8-16,29-32H,3,7H2/b2-1-
InChIKey AANIEYOTXCALEB-UPHRSURJSA-N
Mol Weight 422.48 g/mol
Molecular Formula C28H22O4
Exact Mass 422.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eIRy58zDEt
Name Isoplagiochin C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22O4
InChI InChI=1S/C28H22O4/c29-21-8-10-22-20(16-21)7-3-18-6-12-27(31)25(14-18)24-13-17(5-11-26(24)30)1-2-19-4-9-23(22)28(32)15-19/h1-2,4-6,8-16,29-32H,3,7H2/b2-1-
InChIKey AANIEYOTXCALEB-UPHRSURJSA-N
Molecular Weight 422.480 g/mol
SMILES Oc1ccc-2c(CCc3ccc(c(-c4c(ccc(\C=C/c5ccc2c(c5)O)c4)O)c3)O)c1
SPLASH splash10-0a6r-9000000000-b0cb407fcd8ae203103d
Source of Spectrum U1-1998-887-5
Synonyms Pentacyclo[20.2.2.1(10,14).1(15,19).0(2,7)]octacosa-1(25),2,4,6,10(28),11,13,15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol (P)-isoplagiochin C (PA)-1
Wiley ID 751181