Cas no 146959-88-8 (Cholest-7-en-6-one,2,3,14,20,24,25-hexahydroxy-, (2b,3b,5b)-)
146959-88-8 structure
Product Name:Cholest-7-en-6-one,2,3,14,20,24,25-hexahydroxy-, (2b,3b,5b)-
CAS No:146959-88-8
MF:C27H44O7
MW:480.634069442749
CID:189698
Update Time:2024-03-01
Cholest-7-en-6-one,2,3,14,20,24,25-hexahydroxy-, (2b,3b,5b)- Chemical and Physical Properties
Names and Identifiers
-
- Cholest-7-en-6-one,2,3,14,20,24,25-hexahydroxy-, (2b,3b,5b)-
- (+)-Pinnatasterone
- Pinnatasterone
- Cholest-7-en-6-one, 2,3,14,20,24,25-hexahydroxy-, (2β,3β,5β,24R)-
-
- Inchi： 1S/C27H44O7/c1-23(2,32)22(31)8-10-26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-9-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3/t15-,17-,19+,20-,21-,22+,24+,25+,26-,27+/m0/s1
- InChI Key： VUBCOFCCIFBERZ-QUOJMMGDSA-N
- SMILES： [C@@H]1(O)C[C@]2([H])[C@](C)(C[C@@H]1O)[C@]1([H])C([C@@]3(O)[C@@](CC1)(C)[C@@H]([C@](O)(C)CC[C@@H](O)C(O)(C)C)CC3)=CC2=O
Computed Properties
- Exact Mass: 480.309
- Monoisotopic Mass: 480.309
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 869
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
Experimental Properties
- Density: 1.28±0.1 g/cm3(Predicted)
- Boiling Point: 702.1±60.0 °C(Predicted)
- pka: 14.18±0.70(Predicted)
Cholest-7-en-6-one,2,3,14,20,24,25-hexahydroxy-, (2b,3b,5b)- 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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Hydroxy bile acids, alcohols and derivatives
- 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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