Cas no 521079-80-1 (24-ethyl-4,22-cholestadiene-3-one)
521079-80-1 structure
Product Name:24-ethyl-4,22-cholestadiene-3-one
CAS No:521079-80-1
MF:C29H46O
MW:410.674949169159
CID:2032708
PubChem ID:68486423
Update Time:2025-04-21
24-ethyl-4,22-cholestadiene-3-one Chemical and Physical Properties
Names and Identifiers
-
- 24-ethyl-4,22-cholestadiene-3-one
- 24-ethylcholesta-4,22-dien-3-one
- 4,22-cholestadiene-24beta-ethyl-3-one
- 4,22-stigmastadien-3-one
- Delta4,22-stigmasten-3-one
- stigmast-4,22-dien-3-one
- stigmasta-4,22-dien-3-one
- (24xi)-Stigmasta-4,22-dien-3-one
- 521079-80-1
- (24I(3/4))-Stigmasta-4,22-dien-3-one
- DTXSID701304476
-
- Inchi： 1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,18-21,24-27H,7,10-17H2,1-6H3/t20-,21?,24+,25-,26+,27+,28+,29-/m1/s1
- InChI Key： MKGZDUKUQPPHFM-DOUXTHCPSA-N
- SMILES： O=C1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@@H](C=CC(CC)C(C)C)C)CC[C@H]43)[C@@]2(C)CC1
Computed Properties
- Exact Mass: 410.354866087g/mol
- Monoisotopic Mass: 410.354866087g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 714
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 8.5
- Topological Polar Surface Area: 17.1?2
24-ethyl-4,22-cholestadiene-3-one Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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