WMX

(4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione

Created:	2023-10-09
Last modified:	2025-04-16

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1 entries where WMX is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	62
Chiral Atom Count	3
Bond Count	63
Aromatic Bond Count	6

2D diagram of WMX

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Chemical Component Summary
Name	(4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione
Systematic Name (OpenEye OEToolkits)	(4~{S},9~{S},10~{S})-17-(ethoxymethoxy)-4-methyl-9,10,19-tris(oxidanyl)-3-oxabicyclo[13.4.0]nonadeca-1(19),15,17-triene-2,8-dione
Formula	C₂₂ H₃₂ O₈
Molecular Weight	424.485
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOCOc1cc(O)c2C(=O)O[CH](C)CCCC(=O)[CH](O)[CH](O)CCCCc2c1
SMILES	OpenEye OEToolkits	2.0.7	CCOCOc1cc2c(c(c1)O)C(=O)OC(CCCC(=O)C(C(CCCC2)O)O)C
Canonical SMILES	CACTVS	3.385	CCOCOc1cc(O)c2C(=O)O[C@@H](C)CCCC(=O)[C@@H](O)[C@@H](O)CCCCc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOCOc1cc2c(c(c1)O)C(=O)O[C@H](CCCC(=O)[C@H]([C@H](CCCC2)O)O)C
InChI	InChI	1.06	InChI=1S/C22H32O8/c1-3-28-13-29-16-11-15-8-4-5-9-17(23)21(26)18(24)10-6-7-14(2)30-22(27)20(15)19(25)12-16/h11-12,14,17,21,23,25-26H,3-10,13H2,1-2H3/t14-,17?,21?/m0/s1
InChIKey	InChI	1.06	KDOYDBOXSWPABK-UAXOWTEWSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.