Cas no 144606-85-9 (3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol)
![3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol structure](https://ossimg.kuujia.com/scimg/145000/144606-85-9x500.png)
144606-85-9 structure
Product Name:3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol
CAS No:144606-85-9
MF:C22H24O7
MW:400.421767234802
CID:195121
PubChem ID:15658448
Update Time:2024-03-01
3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol Chemical and Physical Properties
Names and Identifiers
-
- Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxol-5-ol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, (5R,6R,7R,13aS)- (9CI)
- Cycloocta[1,2-f:3,4-f']bis[1,3]benzodioxol-5-ol,5,6,7,8-tetrahydro-13,14-dimethoxy-6,7-dimethyl-, stereoisomer
- SchisanlignaolD
- Schisanlignaol D
- Gomisin R
- 3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4
- 3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol
-
- Inchi： 1S/C22H24O7/c1-10-5-12-6-14-19(28-8-26-14)21(24-3)16(12)17-13(18(23)11(10)2)7-15-20(22(17)25-4)29-9-27-15/h6-7,10-11,18,23H,5,8-9H2,1-4H3
- InChI Key： HOPDFAWBFXSPSA-UHFFFAOYSA-N
- SMILES： OC1C2C=C3C(=C(C=2C2C(=C4C(=CC=2CC(C)C1C)OCO4)OC)OC)OCO3
Computed Properties
- Exact Mass: 400.15220310g/mol
- Monoisotopic Mass: 400.15220310g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- Rotatable Bond Count: 2
- Complexity: 588
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 75.6
- XLogP3: 3.9
3,22-Dimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.02,10.04,8.017,21]docosa-1(22),2,4(8),9,15,17(21)-hexaen-11-ol Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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