Cas no 2448-47-7 (Cholan-24-oic acid,3,6-dihydroxy-, (3b,5a,6b)- (9CI))
2448-47-7 structure
Product Name:Cholan-24-oic acid,3,6-dihydroxy-, (3b,5a,6b)- (9CI)
CAS No:2448-47-7
MF:C24H40O4
MW:392.572008132935
CID:274137
PubChem ID:227030
Update Time:2025-04-19
Cholan-24-oic acid,3,6-dihydroxy-, (3b,5a,6b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cholan-24-oic acid,3,6-dihydroxy-, (3b,5a,6b)- (9CI)
- 17ALPHA-METHYLANDROSTENDIOL DIPROPIONATE
- 17a-Methyl-5-androstene-3B,17B-diol Dipropionate
- 17-Methylandrost-5-ene-3b,17b-diol dipropionate
- dipropanoate
- Methylandrostendiol dipropionate
- DTXSID501243565
- Cholan-24-oic acid, 3,6-dihydroxy-, (3beta,5alpha,6beta)-
- Q63392618
- NSC18160
- 3b,6b-(OH)2-5a-cholanic acid
- NSC-18160
- 3beta,6beta-Dihydroxy-5alpha-cholan-24-oic Acid
- LMST04010031
- 2448-47-7
-
- Inchi： 1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20-,21-,23-,24-/m1/s1
- InChI Key： DGABKXLVXPYZII-VDMUPYQOSA-N
- SMILES： O[C@@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]32)[C@@]2(C)CC[C@@H](C[C@@H]21)O
Computed Properties
- Exact Mass: 392.2928
- Monoisotopic Mass: 392.293
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 4
- Complexity: 605
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- Density: 1.128
- Boiling Point: 547.1°Cat760mmHg
- Flash Point: 298.8°C
- Refractive Index: 1.543
- PSA: 77.76
- LogP: 4.47790
Cholan-24-oic acid,3,6-dihydroxy-, (3b,5a,6b)- (9CI) Related Literature
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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