Cas no 221287-38-3 (rel-(6aR,13aR,14dR,14eR)-6a,13a,14d,14e-Tetrahydro-6a,13a-dihydroxy-1,8-diphenylnaphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione)
![rel-(6aR,13aR,14dR,14eR)-6a,13a,14d,14e-Tetrahydro-6a,13a-dihydroxy-1,8-diphenylnaphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione structure](https://ossimg.kuujia.com/scimg/221500/221287-38-3x500.png)
221287-38-3 structure
Product Name:rel-(6aR,13aR,14dR,14eR)-6a,13a,14d,14e-Tetrahydro-6a,13a-dihydroxy-1,8-diphenylnaphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione
CAS No:221287-38-3
MF:C38H22O6
MW:574.577690601349
CID:6643696
PubChem ID:101421177
Update Time:2024-03-02
rel-(6aR,13aR,14dR,14eR)-6a,13a,14d,14e-Tetrahydro-6a,13a-dihydroxy-1,8-diphenylnaphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione Chemical and Physical Properties
Names and Identifiers
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- rel-(6aR,13aR,14dR,14eR)-6a,13a,14d,14e-Tetrahydro-6a,13a-dihydroxy-1,8-diphenylnaphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione
- DTXSID801099145
- 221287-38-3
-
- Inchi： 1S/C38H22O6/c39-35-29-23(19-7-3-1-4-8-19)15-11-21-13-17-25-31(27(21)29)33-34-32-26(43-37(33,35)41)18-14-22-12-16-24(20-9-5-2-6-10-20)30(28(22)32)36(40)38(34,42)44-25/h1-18,33-34,41-42H
- InChI Key： YOXXPZVESHZYHK-UHFFFAOYSA-N
- SMILES： O1C2C=CC3=CC=C(C4C=CC=CC=4)C4C(C5(C(C=2C=43)C2C3=C(C=CC4=CC=C(C6C=CC=CC=6)C(C(C12O)=O)=C34)O5)O)=O
Computed Properties
- Exact Mass: 574.14163842g/mol
- Monoisotopic Mass: 574.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 44
- Rotatable Bond Count: 2
- Complexity: 1110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.7
- Topological Polar Surface Area: 93.1?2
rel-(6aR,13aR,14dR,14eR)-6a,13a,14d,14e-Tetrahydro-6a,13a-dihydroxy-1,8-diphenylnaphtho[8,1,2-hij]naphtho[8',1',2':7,8,1][2]benzopyrano[5,4,3-cde][2]benzopyran-7,14-dione Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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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