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4'-Hydroxyrottlerin
SpectraBase Compound ID JFVwygDPUxK
InChI InChI=1S/C30H28O9/c1-13-24(34)18(27(37)22(14(2)31)25(13)35)11-19-28-17(9-10-30(3,4)39-28)26(36)23-20(33)12-21(38-29(19)23)15-5-7-16(32)8-6-15/h5-10,21,32,34-37H,11-12H2,1-4H3
InChIKey BVSNESWHJAEVAI-UHFFFAOYSA-N
Mol Weight 532.55 g/mol
Molecular Formula C30H28O9
Exact Mass 532.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Sxxn8aWgOa
Name 4'-Hydroxyrottlerin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H28O9
InChI InChI=1S/C30H28O9/c1-13-24(34)18(27(37)22(14(2)31)25(13)35)11-19-28-17(9-10-30(3,4)39-28)26(36)23-20(33)12-21(38-29(19)23)15-5-7-16(32)8-6-15/h5-10,21,32,34-37H,11-12H2,1-4H3
InChIKey BVSNESWHJAEVAI-UHFFFAOYSA-N
Molecular Weight 532.545 g/mol
SMILES Oc1c(c(c(c(c1Cc1c2c(c(c3c1OC(C=C3)(C)C)O)C(CC(c1ccc(cc1)O)O2)=O)O)C(=O)C)O)C
SPLASH splash10-0ul0-0049030000-1cf7af4d9e5a6c5ae233
Source of Spectrum C-88-1057-2
Synonyms 10-(3'-Acetyl-2',4',6'-trihydroxy-5'-methylbenzyl)-2,6,7,8-tetrahydro-5-hydroxy-8-(p-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]-(1)-benzopyran-6-one 10-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl)-5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one
Wiley ID 1590192