Cas no 57458-57-8 (Stigmast-4-ene-3,6-dione)
Stigmast-4-ene-3,6-dione structure
Product Name:Stigmast-4-ene-3,6-dione
Stigmast-4-ene-3,6-dione Chemical and Physical Properties
Names and Identifiers
-
- Stigmast-4-ene-3,6-dione
- Aids113421
- Aids-113421
- FUCOSTANOL
- Nsc49081
- SPINASTANOL
- Stigmast-4-en-3,6-dion
- STIGMASTANOL(SG)
- Stigmasten-(4)-dion-(3,6)
- 24-Ethylcholest-4-en-3,6-dione
- 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
- AKOS032948109
- Stigmast-4-ee-3,6-dione
- 57458-57-8
-
- Inchi： InChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3
- InChI Key： UVFOCYGYACXLAY-UHFFFAOYSA-N
- SMILES： CCC(CCC(C)C1CCC2C1(CCC3C2CC(=O)C4=CC(=O)CCC34C)C)C(C)C
Computed Properties
- Exact Mass: 426.349780706g/mol
- Monoisotopic Mass: 426.349780706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 748
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14000
- LogP: 7.41200
Stigmast-4-ene-3,6-dione Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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