Cas no 874472-16-9 (Schizanrin L)
Schizanrin L structure
Product Name:Schizanrin L
CAS No:874472-16-9
MF:C31H36O8
MW:536.612750053406
CID:2087109
PubChem ID:102004694
Update Time:2024-03-01
Schizanrin L Chemical and Physical Properties
Names and Identifiers
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- Schizanrin L
- AKOS040734175
- 874472-16-9
- FS-7927
- (3,4,5,14,15,16-hexamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) benzoate
-
- Inchi： 1S/C31H36O8/c1-17-14-20-15-22(33-3)27(35-5)29(37-7)24(20)25-21(16-23(34-4)28(36-6)30(25)38-8)26(18(17)2)39-31(32)19-12-10-9-11-13-19/h9-13,15-18,26H,14H2,1-8H3
- InChI Key： WYLGJYYEEZHUJZ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)OC1C(C)C(C)CC2C(=C(C(=C(C=2)OC)OC)OC)C2C1=CC(=C(C=2OC)OC)OC
Computed Properties
- Exact Mass: 536.24101810g/mol
- Monoisotopic Mass: 536.24101810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 39
- Rotatable Bond Count: 9
- Complexity: 772
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 81.7?2
Experimental Properties
- Color/Form: Cryst.
Schizanrin L Related Literature
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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