Cas no 165074-72-6 (Polyandrol)
Polyandrol structure
Product Name:Polyandrol
CAS No:165074-72-6
MF:C19H24O8
MW:380.389066696167
CID:217708
Update Time:2024-03-01
Polyandrol Chemical and Physical Properties
Names and Identifiers
-
- 3,9-Ethano-1H,3H,7H-furo[3',4':2,3]cyclopenta[1,2-b]pyran-7-one,4-[(2S)-2,5-dihydro-3-methyl-5-oxo-2-furanyl]hexahydro-3,8,11-trihydroxy-4,10-dimethyl-,(3R,3aR,4S,5aR,8R,9S,9aS,10R,11R)- (9CI)
- 3,9-Ethano-1H,3H,7H-furo[3',4':2,3]cyclopenta[1,2-b]pyran-7-one,4-[(2S)-2,5-dihydro-3-methyl-5-oxo-2-furanyl]hexahydro-3,8,11
- (+)-Polyandrol
- 3,9-Ethano-1H,3H,7H-furo[3',4':2,3]cyclopenta[1,2-b]pyran-7-one,4-(2,5-dihydro-3-methyl-5-oxo-2-furanyl)hexahydro-3,8,11-trihydroxy-4,10-dimethyl-,[3R-[3a,3ab,4b(S*),5aa,8a,9b,9aS*,10R*,11R*]]-
- Polyandrol
-
- Inchi： 1S/C19H24O8/c1-7-4-10(20)27-14(7)17(3)5-9-18-6-25-19(24,16(17)18)13(22)8(2)11(18)12(21)15(23)26-9/h4,8-9,11-14,16,21-22,24H,5-6H2,1-3H3/t8-,9-,11-,12-,13-,14+,16-,17-,18+,19+/m1/s1
- InChI Key： IRGXOUHTTCDCTK-ZTJWCXPSSA-N
- SMILES： O1C[C@@]23[C@H]4C[C@](C)([C@@H]5C(C)=CC(=O)O5)[C@H]2[C@@]1([C@@H]([C@H](C)[C@@H]3[C@H](C(=O)O4)O)O)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 27
- Rotatable Bond Count: 1
- Complexity: 778
- Topological Polar Surface Area: 123
- XLogP3: 0.319
Polyandrol Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Quassinoids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Prenol lipids Terpene lactones Quassinoids
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