Cas no 6540-49-4 ( )
structure
Product Name:
CAS No:6540-49-4
MF:C27H44O3
MW:416.636468887329
CID:961843
PubChem ID:261800
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- (25R)-5α-Furost-20(22)-ene-3β,26-diol
- .ψ.-Tigogenin
- NSC-94756
- Furost-20(22)-ene-3, (3.beta.,5.alpha.,25R)-
- Furost-20(22)-en-3,26-diol #
- DTXSID20984010
- NSC94756
- IQDKIMJGXXRZGR-UHFFFAOYSA-N
- 6540-49-4
- .psi.-Tigogenin
- Furost-20(22)-en-3,26-diol
-
-
- Inchi： 1S/C27H44O3/c1-16(15-28)5-8-23-17(2)25-24(30-23)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16,18-22,24-25,28-29H,5-15H2,1-4H3
- InChI Key： IQDKIMJGXXRZGR-UHFFFAOYSA-N
- SMILES： CC(CCC1OC2CC3C(C2C=1C)(C)CCC1C3CCC2C1(C)CCC(O)C2)CO
Computed Properties
- Exact Mass: 416.32922
- Monoisotopic Mass: 416.32904526g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 4
- Complexity: 700
- 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
- XLogP3: 5.7
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.69
Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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