Cas no 165198-53-8 (Rivulobirin A)
Rivulobirin A structure
Product Name:Rivulobirin A
CAS No:165198-53-8
MF:C32H28O10
MW:572.558730125427
CID:171808
Update Time:2024-03-01
Rivulobirin A Chemical and Physical Properties
Names and Identifiers
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- 7H-Furo[3,2-g][1]benzopyran-7-one,9-[[2-[2-hydroxy-1,1-dimethyl-3-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]propoxy]-3-met
- 7H-Furo[3,2-g][1]benzopyran-7-one,9-[[2-[2-hydroxy-1,1-dimethyl-3-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]propoxy]-3-methyl-3-buten-1-yl]oxy]-
- 7H-Furo[3,2-g][1]benzopyran-7-one,9-[[2-[2-hydroxy-1,1-dimethyl-3-[(7-oxo-7H-furo[3,2-g][1]benzopyran-9-yl)oxy]propoxy]-3-methyl-3-butenyl]oxy]-(9CI)
- Rivulobirin
- Rivulobirin A
- MLS002472885
- HMS2267D07
- SMR001396996
-
- Inchi： 1S/C32H28O10/c1-17(2)22(15-38-30-26-20(9-11-36-26)13-18-5-7-24(34)40-28(18)30)42-32(3,4)23(33)16-39-31-27-21(10-12-37-27)14-19-6-8-25(35)41-29(19)31/h5-14,22-23,33H,1,15-16H2,2-4H3
- InChI Key： AVODUFXCUYKMAY-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C)COC1C2=C(C=CC(=O)O2)C=C2C=COC=12)C(C)(C)C(COC1C2=C(C=CC(=O)O2)C=C2C=COC=12)O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 42
- Rotatable Bond Count: 10
- Complexity: 1100
- Topological Polar Surface Area: 127
- XLogP3: 3.048
Rivulobirin A Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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