Cas no 54267-10-6 (Pregna-1,4-diene-3,20-dione,11,17-dihydroxy-21-[(1-oxohexadecyl)oxy]-, (11b)-)
![Pregna-1,4-diene-3,20-dione,11,17-dihydroxy-21-[(1-oxohexadecyl)oxy]-, (11b)- structure](https://ossimg.kuujia.com/scimg/54500/54267-10-6x500.png)
54267-10-6 structure
Product Name:Pregna-1,4-diene-3,20-dione,11,17-dihydroxy-21-[(1-oxohexadecyl)oxy]-, (11b)-
CAS No:54267-10-6
MF:C37H58O6
MW:598.852832317352
CID:375396
Update Time:2025-04-19
Pregna-1,4-diene-3,20-dione,11,17-dihydroxy-21-[(1-oxohexadecyl)oxy]-, (11b)- Chemical and Physical Properties
Names and Identifiers
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- Pregna-1,4-diene-3,20-dione,11,17-dihydroxy-21-[(1-oxohexadecyl)oxy]-, (11b)-
- 11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-palmitate
- (11beta)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl hexadecanoate
- 11β,17-Dihydroxy-21-(hexadecanoyloxy)pregna-1,4-diene-3,20-dione
- 11β,17-Dihydroxy-21-[(1-oxohexadecyl)oxy]pregna-1,4-diene-3,20-dione
- 21-Hexadecanoylprednisolone
- Palmitoyl Prednisolone
- Pregna-1,4-diene-3,20-dione, 11,17-dihydroxy-21-[(1-oxohexadecyl)oxy]-, (11β)-
-
- Inchi： 1S/C37H58O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-33(41)43-26-32(40)37(42)23-21-30-29-19-18-27-24-28(38)20-22-35(27,2)34(29)31(39)25-36(30,37)3/h20,22,24,29-31,34,39,42H,4-19,21,23,25-26H2,1-3H3/t29-,30-,31-,34+,35-,36-,37-/m0/s1
- InChI Key： YNVPFGZVMSQKIC-CUUJIVLRSA-N
- SMILES： C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCCCCCCCCCCCCCC)CC3)CC2
Computed Properties
- Exact Mass: 598.42354
- Monoisotopic Mass: 598.42334
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 43
- Rotatable Bond Count: 18
- Complexity: 1050
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.7
- Topological Polar Surface Area: 101
Experimental Properties
- Density: 1.11
- Boiling Point: 707.2°Cat760mmHg
- Flash Point: 211°C
- Refractive Index: 1.544
- PSA: 100.9
Pregna-1,4-diene-3,20-dione,11,17-dihydroxy-21-[(1-oxohexadecyl)oxy]-, (11b)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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