Cas no 16680-64-1 (Spirostan-12-one,2,3-dihydroxy-, (2b,3b,5b,25R)- (9CI))
16680-64-1 structure
Product Name:Spirostan-12-one,2,3-dihydroxy-, (2b,3b,5b,25R)- (9CI)
CAS No:16680-64-1
MF:C27H42O5
MW:446.619389057159
CID:178161
PubChem ID:10575379
Update Time:2025-04-19
Spirostan-12-one,2,3-dihydroxy-, (2b,3b,5b,25R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Spirostan-12-one,2,3-dihydroxy-, (2b,3b,5b,25R)- (9CI)
- (25R)-2β,3β-Dihydroxy-5β-spirostan-12-one
- 2b,3b-Dihydroxy-5b,25D-spirostan-12-one
- 5b-Spirostan-12-one, 2b,3b-dihydroxy-, (25R)- (8CI)
- Mexogenin (6CI)
- Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirostan-12-onederiv.
- Mexogenin
- (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,15S,16R,18R)-15,16-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
- (25R)-2beta,3beta-Dihydroxy-5beta-spirostan-12-one
- 16680-64-1
-
- Inchi： 1S/C27H42O5/c1-14-7-8-27(31-13-14)15(2)24-22(32-27)10-19-17-6-5-16-9-20(28)21(29)12-25(16,3)18(17)11-23(30)26(19,24)4/h14-22,24,28-29H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,24+,25+,26-,27-/m1/s1
- InChI Key： PBLXVDNSLUFVHF-GCTKCPTCSA-N
- SMILES： O1[C@]2(CC[C@@H](C)CO2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC[C@@H]4C[C@H]([C@H](C[C@]4(C)[C@H]3CC([C@@]12C)=O)O)O
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 446.30322444g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 799
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 13
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 76?2
Experimental Properties
- PSA: 52.54
Spirostan-12-one,2,3-dihydroxy-, (2b,3b,5b,25R)- (9CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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