Cas no 546-51-0 (13,27-Cycloursan-3-ol,(3b)- (9CI))
546-51-0 structure
Product Name:13,27-Cycloursan-3-ol,(3b)- (9CI)
CAS No:546-51-0
MF:C30H50O
MW:426.717409610748
CID:384040
Update Time:2024-02-29
13,27-Cycloursan-3-ol,(3b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 13,27-Cycloursan-3-ol,(3b)- (9CI)
- 13,27-Cyclo-5α-ursan-3β-ol
- 13,27-Cycloursan-3b-ol (6CI,7CI,8CI)
- 6a,14a-Methanopicene, 13,27-cycloursan-3-ol deriv.
- Phyllanthol
- 13,27-cyclo-13α-ursan-3β-ol
- 13,27-Cycloursan-3-ol, (3β)-
-
- Inchi： 1S/C30H50O/c1-19-8-12-26(5)16-17-30-18-29(30,24(26)20(19)2)15-10-22-27(6)13-11-23(31)25(3,4)21(27)9-14-28(22,30)7/h19-24,31H,8-18H2,1-7H3/t19-,20+,21+,22-,23+,24-,26-,27+,28-,29-,30-/m1/s1
- InChI Key： ULWYRERWMYGJNF-ULPBYVOSSA-N
- SMILES： O([H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])(C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@]1(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@@]23[C@]4([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21C3([H])[H]
Computed Properties
- Exact Mass: 426.386
- Monoisotopic Mass: 426.386
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 0
- Complexity: 785
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.2A^2
13,27-Cycloursan-3-ol,(3b)- (9CI) 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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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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