Cas no 94266-25-8 (9-Octadecenoic acid(9Z)-,2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacont-1-ylester)
94266-25-8 structure
Product Name:9-Octadecenoic acid(9Z)-,2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacont-1-ylester
CAS No:94266-25-8
MF:C42H82O18
MW:875.089696407318
CID:811833
PubChem ID:92036204
Update Time:2025-04-19
9-Octadecenoic acid(9Z)-,2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacont-1-ylester Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenoic acid(9Z)-,2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacont-1-ylester
- [3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] octadec-9-enoate
- 2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacontyl oleate
- NS00065366
- 94266-25-8
- EINECS 304-431-8
-
- Inchi： 1S/C42H82O18/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-42(52)60-33-41(51)32-59-31-40(50)30-58-29-39(49)28-57-27-38(48)26-56-25-37(47)24-55-23-36(46)22-54-21-35(45)20-53-19-34(44)18-43/h9-10,34-41,43-51H,2-8,11-33H2,1H3/b10-9-
- InChI Key： KZTPDBZBBGWVJQ-KTKRTIGZSA-N
- SMILES： O(CC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)C(CCCCCCC/C=C\CCCCCCCC)=O
Computed Properties
- Exact Mass: 874.55
- Monoisotopic Mass: 874.55
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 9
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 60
- Rotatable Bond Count: 47
- Complexity: 949
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 0.9
- Topological Polar Surface Area: 273A^2
Experimental Properties
- Density: 1.176
- Boiling Point: 933.5°Cat760mmHg
- Flash Point: 261.1°C
- Refractive Index: 1.514
9-Octadecenoic acid(9Z)-,2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacont-1-ylester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
94266-25-8 (9-Octadecenoic acid(9Z)-,2,6,10,14,18,22,26,30,31-nonahydroxy-4,8,12,16,20,24,28-heptaoxahentriacont-1-ylester) Related Products
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