Cas no 61954-91-4 ((1alpha,3beta)-cholesta-5,7-diene-1,3,25-triol)
61954-91-4 structure
Product Name:(1alpha,3beta)-cholesta-5,7-diene-1,3,25-triol
CAS No:61954-91-4
MF:C27H44O3
MW:416.636468887329
CID:1631198
PubChem ID:191634
Update Time:2025-04-21
(1alpha,3beta)-cholesta-5,7-diene-1,3,25-triol Chemical and Physical Properties
Names and Identifiers
-
- (1alpha,3beta)-cholesta-5,7-diene-1,3,25-triol
- Cholesta-5,7-diene-1,3,25-triol, (1alpha,3beta)-
- SCHEMBL5353867
- 1 alpha,25-dihydroxy-7-dehydrocholesterol
- 61954-91-4
- 1alpha,25-Dihydroxy-7-dehydrocholesterol
- PD015580
- cholesta-5,7-diene-1alpha,3beta,25-triol
- ULTFRKKCCDVVGE-VMVOXKIBSA-N
- DTXSID50977495
- Cholesta-5,7-diene-1,3,25-triol
- (1S,3R,9S,10R,13R,14R,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
-
- Inchi： 1S/C27H44O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h8-9,17,19,21-24,28-30H,6-7,10-16H2,1-5H3/t17-,19-,21-,22+,23+,24+,26-,27+/m1/s1
- InChI Key： ULTFRKKCCDVVGE-VMVOXKIBSA-N
- SMILES： O[C@H]1C[C@@H](CC2=CC=C3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)(C)O)CC[C@H]43)[C@@]12C)O
Computed Properties
- Exact Mass: 416.32922
- Monoisotopic Mass: 416.329045
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 722
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 60.7
- XLogP3: 5.2
Experimental Properties
- Density: 1.09
- Boiling Point: 561.9°C at 760 mmHg
- Flash Point: 238.4°C
- Refractive Index: 1.561
- PSA: 60.69
(1alpha,3beta)-cholesta-5,7-diene-1,3,25-triol Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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