Cas no 5964-15-8 ([1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,12,12a-dihydro-8,9-dimethoxy-2-(1-methylethyl)-,(6aR-cis)- (9CI))
![[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,12,12a-dihydro-8,9-dimethoxy-2-(1-methylethyl)-,(6aR-cis)- (9CI) structure](https://ossimg.kuujia.com/scimg/6000/5964-15-8x500.png)
5964-15-8 structure
Product Name:[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,12,12a-dihydro-8,9-dimethoxy-2-(1-methylethyl)-,(6aR-cis)- (9CI)
CAS No:5964-15-8
MF:C23H22O6
MW:394.417187213898
CID:385254
PubChem ID:3503071
Update Time:2025-04-19
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,12,12a-dihydro-8,9-dimethoxy-2-(1-methylethyl)-,(6aR-cis)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- [1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,12,12a-dihydro-8,9-dimethoxy-2-(1-methylethyl)-,(6aR-cis)- (9CI)
- AC1MQK5S
- (1)Benzop<wbr>
- LogP
- 8,9-Dimethoxy-2-(propan-2-yl)-12,12a-dihydrofuro[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one
- (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one, 12,12a-dihydro-2-isopropyl-8,9-dimethoxy-, (+)-
- DTXSID10975033
- 5964-15-8
-
- Inchi： 1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-9,11,20-21H,10H2,1-4H3
- InChI Key： DJDRQIXLFYUYAA-UHFFFAOYSA-N
- SMILES： O1C2C3C=C(C(C)C)OC=3C=CC=2C(C2C3C=C(C(=CC=3OCC12)OC)OC)=O
Computed Properties
- Exact Mass: 394.14166
- Monoisotopic Mass: 394.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 29
- Rotatable Bond Count: 3
- Complexity: 623
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 67.1?2
Experimental Properties
- PSA: 67.13
[1]Benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one,12,12a-dihydro-8,9-dimethoxy-2-(1-methylethyl)-,(6aR-cis)- (9CI) Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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