Cas no 35458-71-0 (Stigmast-5-en-3-ol,24,28-epoxy-, (3b,24x)- (9CI))
35458-71-0 structure
Product Name:Stigmast-5-en-3-ol,24,28-epoxy-, (3b,24x)- (9CI)
CAS No:35458-71-0
MF:C29H48O2
MW:428.690229415894
CID:310975
PubChem ID:3082427
Update Time:2025-04-19
Stigmast-5-en-3-ol,24,28-epoxy-, (3b,24x)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Stigmast-5-en-3-ol,24,28-epoxy-, (3b,24x)- (9CI)
- (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-[(2S)-3-methyl-2-propan-2-yloxiran-2-yl]butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- 24,28-Epoxystigmast-5-en-3beta-ol
- Stigmast-5-en-3-ol, 24,28-epoxy-, (3beta,24.xi.)-
- Stigmast-5-en-3-ol, 24,28-epoxy-, (3beta,28S)-
- Isofucosterol epoxide
- 24,28-Epoxystigmast-5-en-3-ol
- DTXSID10956867
- 24,28-Epoxy-24-ethylcholesterol
- Fucosterol epoxide
- 35458-71-0
-
- Inchi： 1S/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3/t19-,20?,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1
- InChI Key： XUBCLKHKJZCPFZ-FHFYVQPASA-N
- SMILES： O1C(C)[C@@]1(C(C)C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]21C)O
Computed Properties
- Exact Mass: 428.36564
- Monoisotopic Mass: 428.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 726
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.6
- Topological Polar Surface Area: 32.8?2
Experimental Properties
- PSA: 32.76
Stigmast-5-en-3-ol,24,28-epoxy-, (3b,24x)- (9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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