Cas no 90374-86-0 ((5R,6R,10S)-O~15~-(3-carboxypropanoyl)-16-hydroxy-16-oxo-9,19-didehydro-5,6,7,8,9,10,11,12-octahydro-5,10-cycloretinol)
90374-86-0 structure
Product Name:(5R,6R,10S)-O~15~-(3-carboxypropanoyl)-16-hydroxy-16-oxo-9,19-didehydro-5,6,7,8,9,10,11,12-octahydro-5,10-cycloretinol
CAS No:90374-86-0
MF:C24H36O6
MW:420.539048194885
CID:1950256
PubChem ID:6440366
Update Time:2025-04-21
(5R,6R,10S)-O~15~-(3-carboxypropanoyl)-16-hydroxy-16-oxo-9,19-didehydro-5,6,7,8,9,10,11,12-octahydro-5,10-cycloretinol Chemical and Physical Properties
Names and Identifiers
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- (5R,6R,10S)-O~15~-(3-carboxypropanoyl)-16-hydroxy-16-oxo-9,19-didehydro-5,6,7,8,9,10,11,12-octahydro-5,10-cycloretinol
- 90374-86-0
- Butanedioic acid, mono((2E)-5-((1S,4aR,5S,8aR)-5-carboxydecahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl) ester
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- Inchi： 1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1
- InChI Key： UNLBVDZKMBYCGV-RQDSQJSGSA-N
- SMILES： OC([C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(=C/COC(CCC(=O)O)=O)/C)C(=C)CC[C@H]21)=O
Computed Properties
- Exact Mass: 420.251189
- Monoisotopic Mass: 420.251189
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 10
- Complexity: 723
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 101
- XLogP3: 4.6
Experimental Properties
- Density: 1.14
- Boiling Point: 577.1°Cat760mmHg
- Flash Point: 190°C
(5R,6R,10S)-O~15~-(3-carboxypropanoyl)-16-hydroxy-16-oxo-9,19-didehydro-5,6,7,8,9,10,11,12-octahydro-5,10-cycloretinol Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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