Cas no 15571-11-6 ( )
structure
Product Name:
CAS No:15571-11-6
MF:C25H32O7
MW:444.517388343811
CID:904233
PubChem ID:261376
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-4-phenylpiperidin-4-ol
- AG-H-16360
- ANW-37243
- CHOL ESTEROL ISOPROPYL CARBONATE
- Cholest-5-en-3-ol (3b)-, 1-methylethyl carbonate (9CI)
- CTK5E6217
- FT-0623732
- Isopropyl Carbonic Acid Cholesterol Ester
- NSC93374
- 15571-11-6
- NSC-93374
-
-
- Inchi： 1S/C25H32O7/c1-14(27)31-16-3-7-23(13-26)18-4-6-22(2)17(15-9-21(28)30-12-15)5-8-24(22,29)19(18)10-20-25(23,11-16)32-20/h9,13,16-20,29H,3-8,10-12H2,1-2H3/t16-,17+,18-,19+,20+,22+,23-,24-,25+/m0/s1
- InChI Key： UUFLHYGLCCSYPF-KSRWRUHASA-N
- SMILES： O1[C@@H]2C[C@H]3[C@]4(CC[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@@H]3[C@@]3(C=O)CC[C@@H](C[C@]132)OC(C)=O)O
Computed Properties
- Exact Mass: 327.18355
- Monoisotopic Mass: 444.215
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 32
- Rotatable Bond Count: 4
- Complexity: 927
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 102?2
Experimental Properties
- Density: 1.34
- Boiling Point: 618.9°C at 760 mmHg
- Flash Point: 210.3°C
- Refractive Index: 1.597
- PSA: 63.93
- LogP: 2.48540
Related Literature
-
Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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