Cas no 22138-90-5 (1H-Phenalen-1-one,2,6-dihydroxy-5-methoxy-9-phenyl-)
22138-90-5 structure
Product Name:1H-Phenalen-1-one,2,6-dihydroxy-5-methoxy-9-phenyl-
CAS No:22138-90-5
MF:C20H14O4
MW:318.322765827179
CID:275490
Update Time:2024-02-29
1H-Phenalen-1-one,2,6-dihydroxy-5-methoxy-9-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Phenalen-1-one,2,6-dihydroxy-5-methoxy-9-phenyl-
- 2,6-dihydroxy-5-methoxy-9-phenylphenalen-1-one
- 2,6-Dihydroxy-5-methoxy-9-phenylphenalenone
- Haemocorin aglycone
- Hemocorin aglycone
- Hemocorinaglycon
- Phenalen-1-one,2,6-dihydroxy-5-methoxy-9-phenyl- (6CI,8CI)
- 2,6-Dihydroxy-5-methoxy-9-phenyl-1H-phenalen-1-one
- 1H-Phenalen-1-one, 2,6-dihydroxy-5-methoxy-9-phenyl-
-
- Inchi： 1S/C20H14O4/c1-24-16-10-12-9-15(21)20(23)18-13(11-5-3-2-4-6-11)7-8-14(17(12)18)19(16)22/h2-10,21-22H,1H3
- InChI Key： NJDQDGLQCUBCBX-UHFFFAOYSA-N
- SMILES： C1(=O)C2C3C(C=CC=2C2=CC=CC=C2)=C(O)C(OC)=CC=3C=C1O
Computed Properties
- Exact Mass: 318.08922
- Monoisotopic Mass: 318.089
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 522
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 66.8A^2
Experimental Properties
- PSA: 66.76
1H-Phenalen-1-one,2,6-dihydroxy-5-methoxy-9-phenyl- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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