Cas no 3608-03-5 (17beta,21beta-Epoxyhopane)
17beta,21beta-Epoxyhopane structure
Product Name:17beta,21beta-Epoxyhopane
CAS No:3608-03-5
MF:C30H50O
MW:426.717409610748
CID:1995086
Update Time:2025-04-21
17beta,21beta-Epoxyhopane Chemical and Physical Properties
Names and Identifiers
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- 17beta,21beta-Epoxyhopane
-
- Inchi： 1S/C30H50O/c1-20(2)29-18-16-28(8)23-11-10-22-25(5)14-9-13-24(3,4)21(25)12-15-26(22,6)27(23,7)17-19-30(28,29)31-29/h20-23H,9-19H2,1-8H3
- InChI Key： KJQRFXWWJWEVIX-UHFFFAOYSA-N
- SMILES： CC(C12OC31C(C1C(CC3)(C)C3(C(C4(C(CC3)C(C)(C)CCC4)C)CC1)C)(C)CC2)C
Computed Properties
- Exact Mass: 426.386
- Monoisotopic Mass: 426.386
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 31
- Rotatable Bond Count: 1
- Complexity: 798
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.5A^2
17beta,21beta-Epoxyhopane Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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