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(+-)-Isopicrohernandin
SpectraBase Compound ID ICvpj1IsMtS
InChI InChI=1S/C23H24O8/c1-25-14-6-12(7-15(26-2)20(14)27-3)17-18-11(5-13-9-29-23(24)19(13)17)8-16-21(22(18)28-4)31-10-30-16/h6-8,13,17,19H,5,9-10H2,1-4H3/t13-,17-,19+/m0/s1
InChIKey SXYMZPDEDWTMMB-SOVGHPHASA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKGvcjtazad
Name (+-)-Isopicrohernandin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-25-14-6-12(7-15(26-2)20(14)27-3)17-18-11(5-13-9-29-23(24)19(13)17)8-16-21(22(18)28-4)31-10-30-16/h6-8,13,17,19H,5,9-10H2,1-4H3/t13-,17-,19+/m0/s1
InChIKey SXYMZPDEDWTMMB-SOVGHPHASA-N
Molecular Weight 428.437 g/mol
SMILES c12[C@](c3cc(OC)c(c(c3)OC)OC)([C@@]3(C(OC[C@@]3(Cc1cc1OCOc1c2OC)[H])=O)[H])[H]
SPLASH splash10-004i-0020900000-77b7475b9f00d5f10bca
Source of Spectrum E1-37-72-21
Synonyms (5S,5aS,8aR)-4-methoxy-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
Wiley ID 1517507