Cas no 32345-19-0 (Stigmasta-5,22-dien-3-ol)
Stigmasta-5,22-dien-3-ol structure
Product Name:Stigmasta-5,22-dien-3-ol
CAS No:32345-19-0
MF:C29H48O
MW:412.690829277039
CID:1450589
PubChem ID:122544
Update Time:2025-04-20
Stigmasta-5,22-dien-3-ol Chemical and Physical Properties
Names and Identifiers
-
- Stigmasta-5,22-dien-3-ol
- CTK1H1305
- AC1L6QS0
- NSC167404
- 22,23-Dibromostigmast-5-en-3-yl acetate
- 22,23-Dibromostigmasterol acetate
- STIGMASTERYL ACETATE DIBROMIDE
- Stigmasterin
- [17-(3,4-dibromo-5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- CTK1H1305; AC1L6QS0; NSC167404; 22,23-Dibromostigmast-5-en-3-yl acetate; 22,23-Dibromostigmasterol acetate; STIGMASTERYL ACETATE DIBROMIDE; Stigmasterin; [17-(3,4-dibromo-5-ethyl-6-methyl-heptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;
- 32345-19-0
- NS00006187
- SY037152
- 17-(5-ethyl-6-methylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
- Stigmasta-5,22-dien-3-ol, (3b,22E)-
- DB-056719
-
- Inchi： 1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3
- InChI Key： HCXVJBMSMIARIN-UHFFFAOYSA-N
- SMILES： OC1CCC2(C)C(C1)=CCC1C2CCC2(C)C(C(C=CC(CC)C(C)C)C)CCC21
Computed Properties
- Exact Mass: 412.370516150g/mol
- Monoisotopic Mass: 412.370516150g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 674
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 8.6
- Topological Polar Surface Area: 20.2?2
Stigmasta-5,22-dien-3-ol Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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