Cas no 71135-81-4 (Nsc329501)
Nsc329501 structure
Product Name:Nsc329501
CAS No:71135-81-4
MF:C24H26O9
MW:458.457848072052
CID:976140
PubChem ID:433422
Update Time:2025-04-19
Nsc329501 Chemical and Physical Properties
Names and Identifiers
-
- Nsc329501
- AC1L8VDY
- NSC-329501
- SPLENDIDIN
- DTXSID00330899
- 71135-81-4
-
- Inchi： 1S/C24H26O9/c1-12(25)31-17-5-4-16-21(27)30-11-24(16)8-6-15-22(28)33-18(14-7-9-29-10-14)20(32-13(2)26)23(15,3)19(17)24/h4-5,7,9-10,15-20H,6,8,11H2,1-3H3
- InChI Key： ODSSLHDHIUPAGJ-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(C3C4(C)C(C(C5=COC=C5)OC(C4CCC32C1)=O)OC(C)=O)OC(C)=O)=O
Computed Properties
- Exact Mass: 458.15768
- Monoisotopic Mass: 458.15768240g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 33
- Rotatable Bond Count: 5
- Complexity: 912
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 118.34
- LogP: 2.50260
Nsc329501 Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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