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2,2'-di-O-methylstenosporic acid
SpectraBase Compound ID 3rXPh6fqorV
InChI InChI=1S/C25H32O7/c1-6-8-9-11-17-13-19(15-20(30-4)22(17)24(26)27)32-25(28)23-16(10-7-2)12-18(29-3)14-21(23)31-5/h12-15H,6-11H2,1-5H3,(H,26,27)
InChIKey SBQMZLOWZMZLQG-UHFFFAOYSA-N
Mol Weight 444.5 g/mol
Molecular Formula C25H32O7
Exact Mass 444.214803 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Js5i5DyKMC1
Name 2,2'-di-O-methylstenosporic acid
Alternate Name(s) 4-[(2,4-dimethoxy-6-propylbenzoyl)oxy]-2-methoxy-6-pentylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O7
InChI InChI=1S/C25H32O7/c1-6-8-9-11-17-13-19(15-20(30-4)22(17)24(26)27)32-25(28)23-16(10-7-2)12-18(29-3)14-21(23)31-5/h12-15H,6-11H2,1-5H3,(H,26,27)
InChIKey SBQMZLOWZMZLQG-UHFFFAOYSA-N
Molecular Weight 444.524 g/mol
SMILES OC(c1c(cc(OC(c2c(cc(cc2CCC)OC)OC)=O)cc1OC)CCCCC)=O
SPLASH splash10-0a4i-0390000000-2a2ea159c283d5c4134a
Source of Spectrum B-46-301-0
Wiley ID 1386041