Cas no 118013-26-6 (Urs-19(29)-en-3-ol,acetate, (3b)- (9CI))
118013-26-6 structure
Product Name:Urs-19(29)-en-3-ol,acetate, (3b)- (9CI)
CAS No:118013-26-6
MF:C32H52O2
MW:468.754090309143
CID:205684
PubChem ID:189540
Update Time:2025-04-19
Urs-19(29)-en-3-ol,acetate, (3b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Urs-19(29)-en-3-ol,acetate, (3b)- (9CI)
- Calotropenyl acetate
- Urs-19(29)-en-3-yl acetate
- 118013-26-6
- DTXSID20922593
- Urs-19(29)-en-3-ol, acetate, (3beta)-
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- Inchi： 1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h20,23-27H,2,10-19H2,1,3-9H3/t20-,23-,24?,25-,26+,27-,29-,30+,31-,32-/m1/s1
- InChI Key： OEKBQFGXHADTCO-JWTKACPUSA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)C(C1(C)C)CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3C(=C)[C@H](C)CC[C@]3(C)CC[C@@]12C
Computed Properties
- Exact Mass: 468.39696
- Monoisotopic Mass: 468.396730897g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 34
- Rotatable Bond Count: 2
- Complexity: 872
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Urs-19(29)-en-3-ol,acetate, (3b)- (9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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