Cas no 294191-39-2 (2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1,3-bis(1-methylethyl)-, (4bS,8aS)-)
294191-39-2 structure
Product Name:2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1,3-bis(1-methylethyl)-, (4bS,8aS)-
CAS No:294191-39-2
MF:C23H36O
MW:328.53134727478
CID:249144
Update Time:2023-03-30
2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1,3-bis(1-methylethyl)-, (4bS,8aS)- Chemical and Physical Properties
Names and Identifiers
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- 2-Phenanthrenol,4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1,3-bis(1-methylethyl)-,(4bS,8aS)-
- 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1,3-bis(1-methylethyl)-, (4bS,8aS)-
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- Inchi： 1S/C23H36O/c1-14(2)17-13-18-16(20(15(3)4)21(17)24)9-10-19-22(5,6)11-8-12-23(18,19)7/h13-15,19,24H,8-12H2,1-7H3/t19-,23+/m0/s1
- InChI Key： ZQRNGFSLDVSIQU-WMZHIEFXSA-N
- SMILES： C1(C(C)C)=C2C([C@]3(C)[C@@]([H])(CC2)C(C)(C)CCC3)=CC(C(C)C)=C1O
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 6
- Complexity: 417
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1,3-bis(1-methylethyl)-, (4bS,8aS)- Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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