Cas no 167775-55-5 (Lanosta-7,9(11)-dien-21-oic acid, 3,16,25-trihydroxy-24-methylene-, (3α,16α)-)
167775-55-5 structure
Product Name:Lanosta-7,9(11)-dien-21-oic acid, 3,16,25-trihydroxy-24-methylene-, (3α,16α)-
CAS No:167775-55-5
MF:C31H48O5
MW:500.709830284119
CID:5574012
PubChem ID:10368709
Update Time:2024-03-01
Lanosta-7,9(11)-dien-21-oic acid, 3,16,25-trihydroxy-24-methylene-, (3α,16α)- Chemical and Physical Properties
Names and Identifiers
-
- Lanosta-7,9(11)-dien-21-oic acid, 3,16,25-trihydroxy-24-methylene-, (3α,16α)-
- 25-hydroxy-3-epidehydrotumulosic acid
- DTXSID501288202
- CHEMBL465660
- (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3,16-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-6-methyl-5-methylideneheptanoic acid
- 167775-55-5
- Q27136854
- (3alpha,16alpha)-3,16,25-trihydroxy-24-methylidenelanosta-7,9(11)-dien-21-oic acid
- CHEBI:68357
-
- Inchi： 1S/C31H48O5/c1-18(28(4,5)36)9-10-19(26(34)35)25-22(32)17-31(8)21-11-12-23-27(2,3)24(33)14-15-29(23,6)20(21)13-16-30(25,31)7/h11,13,19,22-25,32-33,36H,1,9-10,12,14-17H2,2-8H3,(H,34,35)/t19-,22-,23+,24-,25+,29-,30-,31+/m1/s1
- InChI Key： GDIGQYHXIOMOQU-NEAGZGJDSA-N
- SMILES： [C@H]1(O)[C@@]([C@]2([C@](C)(CC1)C1C([C@]3([C@@](CC=1)(C)[C@@H]([C@H](C(O)=O)CCC(=C)C(O)(C)C)[C@H](O)C3)C)=CC2)[H])(C)C
Computed Properties
- Exact Mass: 500.35017463g/mol
- Monoisotopic Mass: 500.35017463g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 36
- Rotatable Bond Count: 6
- Complexity: 1000
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 98?2
Experimental Properties
- Density: 1.15±0.1 g/cm3(Predicted)
- Boiling Point: 654.8±55.0 °C(Predicted)
- pka: 4.61±0.10(Predicted)
Lanosta-7,9(11)-dien-21-oic acid, 3,16,25-trihydroxy-24-methylene-, (3α,16α)- Related Literature
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1. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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