Cas no 866403-32-9 (Batzelladine J)
Batzelladine J structure
Product Name:Batzelladine J
CAS No:866403-32-9
MF:C41H67N9O4
MW:750.028589487076
CID:6658503
Update Time:2024-03-02
Batzelladine J Chemical and Physical Properties
Names and Identifiers
-
- (-)-Batzelladine J
- Batzelladine J
-
- Inchi： 1S/C41H67N9O4/c1-4-5-6-8-11-16-29-25-31-18-20-33-35(27(2)45-40(47-29)49(31)33)37(51)53-23-14-10-7-9-12-17-30-26-32-19-21-34-36(28(3)46-41(48-30)50(32)34)38(52)54-24-15-13-22-44-39(42)43/h27-32H,4-26H2,1-3H3,(H,45,47)(H,46,48)(H4,42,43,44)
- InChI Key： LEKBWNKNEQMBQD-UHFFFAOYSA-N
- SMILES： CCCCCCCC1NC2N3C(=C(C(OCCCCCCCC4NC5N6C(=C(C(OCCCCNC(=N)N)=O)C(N=5)C)CCC6C4)=O)C(N=2)C)CCC3C1
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 54
- XLogP3: 8.865
Batzelladine J Related Literature
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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