Cas no 76879-05-5 (Stigmasta-5,22-diene,(22E)- (9CI))
76879-05-5 structure
Product Name:Stigmasta-5,22-diene,(22E)- (9CI)
CAS No:76879-05-5
MF:C29H48
MW:396.691429138184
CID:548607
PubChem ID:18608609
Update Time:2025-04-19
Stigmasta-5,22-diene,(22E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Stigmasta-5,22-diene,(22E)- (9CI)
- (24S)-24-ETHYLCHOLEST-5,22-DIENE
- (24S)-ETHYLCHOLEST-5,22-DIENE
- (24S)-24-Ethylcholest-5,22-diene100μg
- stigmasta-5,22t-diene
- 76879-05-5
- (8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
-
- Inchi： 1S/C29H48/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h11-13,20-22,24-27H,7-10,14-19H2,1-6H3/b12-11+/t21-,22-,24+,25-,26+,27+,28+,29-/m1/s1
- InChI Key： QJZBXSPSDJRHDU-LVSBIWLASA-N
- SMILES： [C@]12(C)CC[C@@H]3[C@@]4(C)CCCCC4=CC[C@H]3[C@@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](CC)C(C)C)C
Computed Properties
- Exact Mass: 396.37600
- Monoisotopic Mass: 396.376
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 638
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0A^2
- XLogP3: 10.1
Experimental Properties
- PSA: 0.00000
- LogP: 8.83000
Stigmasta-5,22-diene,(22E)- (9CI) Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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