Cas no 630106-15-9 (Isoplagiochin C; 10,10',12-Trichloro, 1-Me ether)
630106-15-9 structure
Product Name:Isoplagiochin C; 10,10',12-Trichloro, 1-Me ether
CAS No:630106-15-9
MF:C29H21Cl3O4
MW:539.833645582199
CID:6699044
Update Time:2024-03-02
Isoplagiochin C; 10,10',12-Trichloro, 1-Me ether Chemical and Physical Properties
Names and Identifiers
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- Isoplagiochin C; 10,10',12-Trichloro, 1-Me ether
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- Inchi： 1S/C29H21Cl3O4/c1-36-25-11-5-16-3-8-18-20(14-23(30)29(35)27(18)32)19-9-7-17(26(31)28(19)34)6-2-15-4-10-24(33)21(12-15)22(25)13-16/h2,4-7,9-14,33-35H,3,8H2,1H3
- InChI Key： YHYFZZPAXLZZLU-UHFFFAOYSA-N
- SMILES： COC1C2=CC(CCC3C(C4C(O)=C(Cl)C(C=CC5=CC2=C(O)C=C5)=CC=4)=CC(Cl)=C(O)C=3Cl)=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 36
- XLogP3: 5.182
Isoplagiochin C; 10,10',12-Trichloro, 1-Me ether Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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