Cas no 56973-45-6 (3,6-Dihydroxy-5-methyl-2-[(S)-1,2,2-trimethyl-4-oxocyclopentan-1α-yl]-2,5-cyclohexadiene-1,4-dione)
![3,6-Dihydroxy-5-methyl-2-[(S)-1,2,2-trimethyl-4-oxocyclopentan-1α-yl]-2,5-cyclohexadiene-1,4-dione structure](https://ossimg.kuujia.com/scimg/57000/56973-45-6x500.png)
56973-45-6 structure
Product Name:3,6-Dihydroxy-5-methyl-2-[(S)-1,2,2-trimethyl-4-oxocyclopentan-1α-yl]-2,5-cyclohexadiene-1,4-dione
CAS No:56973-45-6
MF:C15H18O5
MW:278.300425052643
CID:347047
Update Time:2023-11-19
3,6-Dihydroxy-5-methyl-2-[(S)-1,2,2-trimethyl-4-oxocyclopentan-1α-yl]-2,5-cyclohexadiene-1,4-dione Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-(1,2,2-trimethyl-4-oxocyclopentyl)-, (S)-
- 3,6-Dihydroxy-5-methyl-2-[(S)-1,2,2-trimethyl-4-oxocyclopentan-1α-yl]-2,5-cyclohexadiene-1,4-dione
- Hydroxylagopodin B
- CID 101290449
-
- Inchi： 1S/C15H18O5/c1-7-10(17)12(19)9(13(20)11(7)18)15(4)6-8(16)5-14(15,2)3/h17,20H,5-6H2,1-4H3/t15-/m1/s1
- InChI Key： RYHRRJFIOGTROH-OAHLLOKOSA-N
- SMILES： O=C1CC(C)(C)[C@@](C)(C2C(C(=C(C)C(C=2O)=O)O)=O)C1
Computed Properties
- Exact Mass: 278.115
- Monoisotopic Mass: 278.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 606
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 91.7
3,6-Dihydroxy-5-methyl-2-[(S)-1,2,2-trimethyl-4-oxocyclopentan-1α-yl]-2,5-cyclohexadiene-1,4-dione Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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