Cas no 30899-98-0 (Stigmastanol, (5b)-)
Stigmastanol, (5b)- structure
Product Name:Stigmastanol, (5b)-
CAS No:30899-98-0
MF:C29H52O
MW:416.722589492798
CID:317333
PubChem ID:71361417
Update Time:2025-04-19
Stigmastanol, (5b)- Chemical and Physical Properties
Names and Identifiers
-
- Stigmastanol, (5b)-
- Coprositostanol
- 5beta-Stigmastanol
- (5beta)-Stigmastan-29-ol
- 30899-98-0
- DTXSID70785115
-
- Inchi: 1S/C29H52O/c1-20(2)22(16-19-30)10-9-21(3)25-13-14-26-24-12-11-23-8-6-7-17-28(23,4)27(24)15-18-29(25,26)5/h20-27,30H,6-19H2,1-5H3/t21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1
- InChI Key: IJSLGIMUXIRGLK-XWEDIQBQSA-N
- SMILES: OCC[C@@H](C(C)C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C
Computed Properties
- Exact Mass: 416.40206
- Monoisotopic Mass: 416.401816278g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 30
- Rotatable Bond Count: 7
- Complexity: 569
- 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: 10.5
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Stigmastanol, (5b)- Related Literature
-
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
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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