Cas no 83464-84-0 (Cholestan-6-one, 2,3,22,23-tetrahydroxy-, (2a,3a,5a,22S,23S)-)
83464-84-0 structure
Product Name:Cholestan-6-one, 2,3,22,23-tetrahydroxy-, (2a,3a,5a,22S,23S)-
CAS No:83464-84-0
MF:C27H46O5
MW:450.651149272919
CID:671594
PubChem ID:71415410
Update Time:2025-04-19
Cholestan-6-one, 2,3,22,23-tetrahydroxy-, (2a,3a,5a,22S,23S)- Chemical and Physical Properties
Names and Identifiers
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- Cholestan-6-one, 2,3,22,23-tetrahydroxy-, (2a,3a,5a,22S,23S)-
- (2R,3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3S,4S)-3,4-dihydroxy-6-methylheptan-2-yl]-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
- (2alpha,3alpha,5alpha,22S,23S)-2,3,22,23-Tetrahydroxycholestan-6-one
- 83464-84-0
- DTXSID20834824
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- Inchi： 1S/C27H46O5/c1-14(2)10-23(30)25(32)15(3)17-6-7-18-16-11-21(28)20-12-22(29)24(31)13-27(20,5)19(16)8-9-26(17,18)4/h14-20,22-25,29-32H,6-13H2,1-5H3/t15-,16-,17+,18-,19-,20+,22-,23-,24+,25-,26+,27+/m0/s1
- InChI Key： YNZRNENZMVIPBX-VUIJPJRPSA-N
- SMILES： O=C1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)[C@@H]([C@H](CC(C)C)O)O)CC[C@H]32)[C@@]2(C)C[C@H]([C@H](C[C@@H]21)O)O
Computed Properties
- Exact Mass: 450.33452456g/mol
- Monoisotopic Mass: 450.33452456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 32
- Rotatable Bond Count: 5
- Complexity: 708
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 12
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 98?2
Cholestan-6-one, 2,3,22,23-tetrahydroxy-, (2a,3a,5a,22S,23S)- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
Related Categories
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- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Bile acids, alcohols and derivatives Hydroxy bile acids, alcohols and derivatives
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