Cas no 71208-86-1 ((3beta)-stigmast-5-ene-3,24-diol)
71208-86-1 structure
Product Name:(3beta)-stigmast-5-ene-3,24-diol
CAS No:71208-86-1
MF:C29H50O2
MW:430.706109523773
CID:1748231
PubChem ID:191970
Update Time:2025-04-21
(3beta)-stigmast-5-ene-3,24-diol Chemical and Physical Properties
Names and Identifiers
-
- (3beta)-stigmast-5-ene-3,24-diol
- Stigmast-5-en-3beta,24-diol
- Stigmast-5-ene-3,24-diol, (3beta)-
- (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- Stigmast-5-ene-3,24-diol
- DTXSID40991524
- 71208-86-1
- stigmast-5-en-3 beta,24-diol
-
- Inchi： 1S/C29H50O2/c1-7-29(31,19(2)3)17-12-20(4)24-10-11-25-23-9-8-21-18-22(30)13-15-27(21,5)26(23)14-16-28(24,25)6/h8,19-20,22-26,30-31H,7,9-18H2,1-6H3/t20-,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
- InChI Key： XKNWSLIOITZBGP-BDCPAJACSA-N
- SMILES： O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@](CC)(C(C)C)O)CC[C@H]21
Computed Properties
- Exact Mass: 430.3813
- Monoisotopic Mass: 430.381080833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 6
- Complexity: 682
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.7
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.46
(3beta)-stigmast-5-ene-3,24-diol Related Literature
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1. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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