Cas no 156127-30-9 (Albertic acid)
Albertic acid structure
Product Name:Albertic acid
CAS No:156127-30-9
MF:C29H44O6
MW:488.665g/molg/mol
CID:155341
Update Time:2024-03-01
Albertic acid Chemical and Physical Properties
Names and Identifiers
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- Dicyclopenta[a,f]naphthalene-1-hexanoicacid, 6-carboxy-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydro-a-hydroxy-a,e,3a,6,8a,10a-hexamethyl-d-oxo-, (eS,1R,3aR,5aR,6R,8aS,10aR)-
- Dicyclopenta[a,f]naphthalene-1-hexanoicacid, 6-carboxy-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydro-a-hydroxy-a,e,3a,6,8a
- A(1)-Norlanost-8-ene-26,28-dioicacid, 25-hydroxy-22-oxo-, (4a)-
- Albertic acid
- Dicyclopenta[a,f]naphthalene-1-hexanoic acid,6-carboxy-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydro-a-hydroxy-a,e,3a,6,8a,10a-hexamethyl-d-oxo-, [1R-[1a(1S*),3ab,5ab,6b,8aa,10aa]]-[partial]-
- CID 101663497
- Dicyclopenta[a,f]naphthalene-1-hexanoic acid, 6-carboxy-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a-tetradecahydro-α-hydroxy-α,ε,3a,6,8a,10a-hexamethyl-δ-oxo-, (εS,1R,3aR,5aR,6R,8aS,10aR)-
-
- Inchi： 1S/C29H44O6/c1-17(21(30)11-14-29(6,35)24(33)34)18-9-12-28(5)20-7-8-22-25(2,15-16-26(22,3)23(31)32)19(20)10-13-27(18,28)4/h17-18,22,35H,7-16H2,1-6H3,(H,31,32)(H,33,34)/t17-,18+,22?,25+,26+,27+,28-,29?/m0/s1
- InChI Key： UNMKHLMLPLRZMC-RLMBPSSXSA-N
- SMILES： OC([C@]1(C)CC[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H](C(CCC(C(=O)O)(C)O)=O)C)CC[C@@]4(C)C=3CCC21)=O
Computed Properties
- Exact Mass: 488.314
- Monoisotopic Mass: 488.314
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 35
- Rotatable Bond Count: 7
- Complexity: 984
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 112
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Boiling Point: 657.4±55.0 °C(Predicted)
- pka: 3.85±0.16(Predicted)
Albertic acid Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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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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