Cas no 56293-15-3 (Spiro[androstane-1,2'-oxirane](9CI))
56293-15-3 structure
Product Name:Spiro[androstane-1,2'-oxirane](9CI)
CAS No:56293-15-3
MF:C20H32O
MW:288.467486381531
CID:384483
PubChem ID:71367104
Update Time:2025-04-19
Spiro[androstane-1,2'-oxirane](9CI) Chemical and Physical Properties
Names and Identifiers
-
- Spiro[androstane-1,2'-oxirane](9CI)
- (8S,9S,10S,13S,14S)-10,13-dimethylspiro[2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1,2'-oxirane]
- [8S-(8a,9b,10a,13a,14b)]-Hexadecahydro-10,13-dimethylspiro[1H-cyclopenta[a]phenanthrene-1,2'-oxirane]
- Spiro[1H-cyclopenta[a]phenanthrene-1,2'-oxirane],hexadecahydro-10,13-dimethyl-, [8S-(8a,9b,10a,13a,14b)]-
- Spiro[1H-cyclopenta[a]phenanthrene-1,2'-oxirane],spiro[androstane-1,2'-oxirane] deriv.
- 56293-15-3
- (8S,9S,10S,13S,14S)-10,13-Dimethylhexadecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxirane]
- DTXSID00790297
-
- Inchi: 1S/C20H32O/c1-18-10-4-6-16(18)15-8-7-14-5-3-11-20(13-21-20)19(14,2)17(15)9-12-18/h14-17H,3-13H2,1-2H3/t14?,15-,16-,17-,18-,19-,20?/m0/s1
- InChI Key: JXCRUVXZQIKBTQ-GCHOIMHPSA-N
- SMILES: O1CC21CCCC1CC[C@H]3[C@@H]4CCC[C@@]4(C)CC[C@@H]3[C@@]21C
Computed Properties
- Exact Mass: 288.24546
- Monoisotopic Mass: 288.245315640g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 459
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.2
- Topological Polar Surface Area: 12.5?2
Experimental Properties
- PSA: 12.53
Spiro[androstane-1,2'-oxirane](9CI) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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