Cas no 29560-28-9 ((24(241)Z)-stigmasta-5,7,24(241)-trien-3beta-ol)
29560-28-9 structure
Product Name:(24(241)Z)-stigmasta-5,7,24(241)-trien-3beta-ol
CAS No:29560-28-9
MF:C29H46O
MW:410.674949169159
CID:2001913
PubChem ID:44263331
Update Time:2025-04-21
(24(241)Z)-stigmasta-5,7,24(241)-trien-3beta-ol Chemical and Physical Properties
Names and Identifiers
-
- (24(241)Z)-stigmasta-5,7,24(241)-trien-3beta-ol
- LMST01040155
- DTXSID201344013
- 24Z-ethylidene-cholesta-5,7-dien-3beta-ol
- 5-Dehydro-avenasterol
- SCHEMBL4625891
- 5-Dehydroavenasterol
- (24z)-stigmasta-5,7,24(28)-tri-en-3b-ol
-
- 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/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3/b21-7-/t20-,23+,25-,26+,27+,28+,29-/m1/s1
- InChI Key： XPRWWANUPMYKMF-HVEGQNEHSA-N
- SMILES： O[C@H]1CC[C@@]2(C)C(C1)=CC=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC/C(=C/C)/C(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 410.354866087g/mol
- Monoisotopic Mass: 410.354866087g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 740
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.3
- Topological Polar Surface Area: 20.2?2
(24(241)Z)-stigmasta-5,7,24(241)-trien-3beta-ol Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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