Cas no 108881-85-2 (Stigmast-8(14)-ene, (5a)- (9CI))
108881-85-2 structure
Product Name:Stigmast-8(14)-ene, (5a)- (9CI)
CAS No:108881-85-2
MF:C29H50
MW:398.707309246063
CID:128199
PubChem ID:57357327
Update Time:2025-04-18
Stigmast-8(14)-ene, (5a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Stigmast-8(14)-ene, (5a)- (9CI)
- (24R)-24-ETHYLCHOLEST-8(14)-ENE
- (24R)-ETHYLCHOLEST-8(14)-ENE
- (24R)-24-Ethylcholest-8(14)-ene100μg
- Δ8(14)-Stigmasten
- (5R,9R,10S,13R,17R)-17-[(2R,5R)-5-Ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
- 108881-85-2
- Stigmast-8(14)-ene, (5a)-(9CI)
-
- Inchi： 1S/C29H50/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/h20-23,25,27H,7-19H2,1-6H3/t21-,22-,23-,25-,27+,28+,29-/m1/s1
- InChI Key： HYEPNQUMDGDLRJ-ZOVSLEGHSA-N
- SMILES： [C@]12(C)CCCC[C@@H]1CCC1=C3CC[C@H]([C@H](C)CC[C@@H](CC)C(C)C)[C@@]3(C)CC[C@H]21
Computed Properties
- Exact Mass: 398.39100
- Monoisotopic Mass: 398.391251595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 29
- Rotatable Bond Count: 6
- Complexity: 612
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 10.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 9.19810
Stigmast-8(14)-ene, (5a)- (9CI) Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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