Cas no 78370-84-0 (5α,8α-Epidioxy-24-ethylidene-5α-cholest-6-en-3β-ol)
78370-84-0 structure
Product Name:5α,8α-Epidioxy-24-ethylidene-5α-cholest-6-en-3β-ol
CAS No:78370-84-0
MF:C29H46O3
MW:442.673749446869
CID:1795284
Update Time:2024-03-01
5α,8α-Epidioxy-24-ethylidene-5α-cholest-6-en-3β-ol Chemical and Physical Properties
Names and Identifiers
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- 5α,8α-Epidioxy-24-ethylidene-5α-cholest-6-en-3β-ol
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- Inchi： 1S/C29H46O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h7,16-17,19-20,22-25,30H,8-15,18H2,1-6H3
- InChI Key： BGMWRNYOBDTZKI-UHFFFAOYSA-N
- SMILES： CC=C(C(C)C)CCC(C1C2(CCC3C4(C2CC1)C=CC1(C3(CCC(C1)O)C)OO4)C)C
Computed Properties
- Exact Mass: 442.345
- Monoisotopic Mass: 442.345
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 32
- Rotatable Bond Count: 5
- Complexity: 800
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.7A^2
5α,8α-Epidioxy-24-ethylidene-5α-cholest-6-en-3β-ol Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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