Cas no 123941-73-1 (Macranthol)
Macranthol structure
Product Name:Macranthol
CAS No:123941-73-1
MF:C27H26O3
MW:398.493547916412
CID:174101
PubChem ID:180210
Update Time:2025-04-19
Macranthol Chemical and Physical Properties
Names and Identifiers
-
- [1,1':3',1''-Terphenyl]-2,2'',4'-triol,5,5',5''-tri-2-propen-1-yl-
- (1,1':3',1''-Terphenyl)-2,2'',4'-triol, 5,5',5''-tri-2-propenyl-; Macranthol
- 2,4-bis(2-hydroxy-5-prop-2-enylphenyl)-6-prop-2-enylphenol
- Macranthol
- (1,1':3',1''-Terphenyl)-2,2'',4'-triol, 5,5',5''-tri-2-propenyl-
- 123941-73-1
- DTXSID00154153
- (+)-Macranthol
-
- Inchi： 1S/C27H26O3/c1-4-7-18-10-12-25(28)22(14-18)21-16-20(9-6-3)27(30)24(17-21)23-15-19(8-5-2)11-13-26(23)29/h4-6,10-17,28-30H,1-3,7-9H2
- InChI Key： CFWKXAWFAQXEAK-UHFFFAOYSA-N
- SMILES： OC1=C(CC=C)C=C(C2C(=CC=C(CC=C)C=2)O)C=C1C1C(=CC=C(CC=C)C=1)O
Computed Properties
- Exact Mass: 398.18828
- Monoisotopic Mass: 398.188
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 8
- Complexity: 573
- 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
- XLogP3: 7.3
- Topological Polar Surface Area: 60.7?2
Experimental Properties
- Density: 1.143
- Boiling Point: 524.7°C at 760 mmHg
- Flash Point: 226.9°C
- Refractive Index: 1.622
- PSA: 60.69
Macranthol Related Literature
-
Can Chen,Li Jiang,Min Zhang,Xiaoli Pan,Cheng Peng,Wei Huang,Qinglin Jiang Food Funct. 2019 10 2651
-
Xinhui Tian,Xin Guo,Zhiguo Zhuo,Rentao Zeng,Xin Fang,Xike Xu,Huiliang Li,Yunheng Shen,Weidong Zhang RSC Adv. 2017 7 10849
-
3. Index pages
-
R. S. Ward Nat. Prod. Rep. 1993 10 1
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