Cas no 30882-57-6 ((3R,5R,5'S,8R,9S,10S,13S,14S,17R)-2'-Cyclohexyl-5',10,13-trimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,4'-1,3,2-dioxaborolane]-3-ol)
![(3R,5R,5'S,8R,9S,10S,13S,14S,17R)-2'-Cyclohexyl-5',10,13-trimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,4'-1,3,2-dioxaborolane]-3-ol structure](https://ossimg.kuujia.com/scimg/31000/30882-57-6x500.png)
30882-57-6 structure
Product Name:(3R,5R,5'S,8R,9S,10S,13S,14S,17R)-2'-Cyclohexyl-5',10,13-trimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,4'-1,3,2-dioxaborolane]-3-ol
CAS No:30882-57-6
MF:C27H45BO3
MW:428.455408811569
CID:2664372
Update Time:2023-08-06
(3R,5R,5'S,8R,9S,10S,13S,14S,17R)-2'-Cyclohexyl-5',10,13-trimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,4'-1,3,2-dioxaborolane]-3-ol Chemical and Physical Properties
Names and Identifiers
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- (20S)-17,20-(Cyclohexylboranediylbisoxy)-5β-pregnan-3α-ol
- (3R,5R,5'S,8R,9S,10S,13S,14S,17R)-2'-Cyclohexyl-5',10,13-trimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,1
- (3R,5R,5'S,8R,9S,10S,13S,14S,17R)-2'-Cyclohexyl-5',10,13-trimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,4'-1,3,2-dioxaborolane]-3-ol
-
- Inchi： 1S/C27H45BO3/c1-18-27(31-28(30-18)20-7-5-4-6-8-20)16-13-24-22-10-9-19-17-21(29)11-14-25(19,2)23(22)12-15-26(24,27)3/h18-24,29H,4-17H2,1-3H3/t18-,19+,21+,22+,23-,24-,25-,26-,27-/m0/s1
- InChI Key： ODXFLICMXZMFKN-RWDAOSDSSA-N
- SMILES： O1B(C2CCCCC2)O[C@@H](C)[C@@]21CC[C@H]1[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O
Computed Properties
- Exact Mass: 428.346
- Monoisotopic Mass: 428.346
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 31
- Rotatable Bond Count: 1
- Complexity: 694
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.7
(3R,5R,5'S,8R,9S,10S,13S,14S,17R)-2'-Cyclohexyl-5',10,13-trimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,4'-1,3,2-dioxaborolane]-3-ol Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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