2-[5,12,16,16-tetramethyl-8,13-dioxo-6-(oxolan-3-yl)-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid
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![2-[5,12,16,16-tetramethyl-8,13-dioxo-6-(oxolan-3-yl)-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1995129c3ea94cbd8fa48eb6a0dcf423.png "2-[5,12,16,16-tetramethyl-8,13-dioxo-6-(oxolan-3-yl)-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid")
2-[5,12,16,16-tetramethyl-8,13-dioxo-6-(oxolan-3-yl)-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid
structure -
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CAS No:
86812-63-7
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Formula:
C26H34O9
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Chemical Name:
2-[5,12,16,16-tetramethyl-8,13-dioxo-6-(oxolan-3-yl)-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid
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Synonyms:
Tetrahydrolimonilic acid;86812-63-7;NSC314321;DTXSID10330805;LIMONILIC ACID, TETRAHYDRO;NSC-314321
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CAS No:
2-[5,12,16,16-tetramethyl-8,13-dioxo-6-(oxolan-3-yl)-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid Basic Attributes
490.5 g/mol
490.22028266 g/mol
314321
DTXSID10330805
Computed Properties
Molecular Weight:490.5
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:3
Exact Mass:490.22028266
Monoisotopic Mass:490.22028266
Topological Polar Surface Area:121
Heavy Atom Count:35
Complexity:1040
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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