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UMBILICARIC-ACID
SpectraBase Compound ID ImGoUFZ5DxC
InChI InChI=1S/C25H22O10/c1-11-5-14(26)8-19(33-4)22(11)25(32)35-16-7-13(3)21(18(28)10-16)24(31)34-15-6-12(2)20(23(29)30)17(27)9-15/h5-10,26-28H,1-4H3,(H,29,30)
InChIKey RLRCNRNYRSKNOO-UHFFFAOYSA-N
Mol Weight 482.44 g/mol
Molecular Formula C25H22O10
Exact Mass 482.121297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzSEtsssK2V
Name Benzoic acid, 2-hydroxy-4-[(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy]-6-methyl-, 4-carboxy-3-hydroxy-5-methylphenyl ester
Alternate Name(s) 2-Hydroxy-4-({2-hydroxy-4-[(4-hydroxy-2-methoxy-6-methylbenzoyl)oxy]-6-methylbenzoyl}oxy)-6-methylbenzoic acid Umbilicaric acid
CAS Registry Number 30666-92-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O10
InChI InChI=1S/C25H22O10/c1-11-5-14(26)8-19(33-4)22(11)25(32)35-16-7-13(3)21(18(28)10-16)24(31)34-15-6-12(2)20(23(29)30)17(27)9-15/h5-10,26-28H,1-4H3,(H,29,30)
InChIKey RLRCNRNYRSKNOO-UHFFFAOYSA-N
Molecular Weight 482.441 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2C)OC(c2c(cc(cc2C)O)OC)=O)O)=O)cc(c1C(=O)O)C
SPLASH splash10-0g4l-6900000000-f2ea34f8532d9c8d9fe0
Source of Spectrum B-29-1086-0
Wiley ID 1395576