Cas no 61419-05-4 ((6aS)-6aβ,13a-Dihydro-2,3,13aβ-trimethoxy[1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one)
![(6aS)-6aβ,13a-Dihydro-2,3,13aβ-trimethoxy[1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one structure](https://ossimg.kuujia.com/scimg/61500/61419-05-4x500.png)
61419-05-4 structure
Product Name:(6aS)-6aβ,13a-Dihydro-2,3,13aβ-trimethoxy[1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one
CAS No:61419-05-4
MF:C21H18O7
MW:382.363426685333
CID:520670
Update Time:2024-02-29
(6aS)-6aβ,13a-Dihydro-2,3,13aβ-trimethoxy[1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one Chemical and Physical Properties
Names and Identifiers
-
- [1]Benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one,6a,13a-dihydro-2,3,13a-trimethoxy-, (6aS,13aS)- (9CI)
- (6aS)-6aβ,13a-Dihydro-2,3,13aβ-trimethoxy[1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one
- [1]Benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one,6a,13a-dihydro-2,3,13a-trimethoxy-, (6aS-cis)-
- Neobanone
- CID 101316820
- [1]Benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one, 6a,13a-dihydro-2,3,13a-trimethoxy-, (6aS,13aS)- (9CI)
- 12a-Methoxyerosone
-
- Inchi： 1S/C21H18O7/c1-23-17-7-13-16(9-18(17)24-2)27-10-19-21(13,25-3)20(22)12-6-11-4-5-26-14(11)8-15(12)28-19/h4-9,19H,10H2,1-3H3/t19-,21-/m0/s1
- InChI Key： DGLSPEHHYIIOPE-FPOVZHCZSA-N
- SMILES： O1C2C=C3C(C=CO3)=CC=2C([C@@]2(C3C=C(C(=CC=3OC[C@H]12)OC)OC)OC)=O
Computed Properties
- Exact Mass: 382.105
- Monoisotopic Mass: 382.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 3
- Complexity: 612
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 76.4
- XLogP3: 1.103
(6aS)-6aβ,13a-Dihydro-2,3,13aβ-trimethoxy[1]benzopyrano[3,4-b]furo[3,2-g][1]benzopyran-13(6H)-one Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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