Cas no 15505-14-3 (9-Octadecenoic acid,12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester)
15505-14-3 structure
Product Name:9-Octadecenoic acid,12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester
CAS No:15505-14-3
MF:C57H104O9
MW:933.43027973175
CID:121032
Update Time:2026-05-14
9-Octadecenoic acid,12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenoic acid,12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester
- castor oil
-
- Inchi： InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25+,35-26+,36-27+
- InChI Key： ZEMPKEQAKRGZGQ-GXCCKLQBSA-N
- SMILES： CCCCCCC(C/C=C/CCCCCCCC(OCC(OC(CCCCCCC/C=C/CC(CCCCCC)O)=O)COC(CCCCCCC/C=C/CC(CCCCCC)O)=O)=O)O
Computed Properties
- Exact Mass: 932.76842
- Monoisotopic Mass: 932.768
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 66
- Rotatable Bond Count: 53
- Complexity: 1110
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 140A^2
Experimental Properties
- Density: 0.977±0.06 g/cm3 (20 oC 760 Torr),
- Solubility: Insuluble (1.0E-7 g/L) (25 oC),
- PSA: 139.59
9-Octadecenoic acid,12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester Related Literature
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Sudipta De,Anand S. Burange,Rafael Luque Green Chem. 2022 24 2267
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Tohru Taniguchi,Naka Ida,Takuya Kitahara,Davidson Obinna Agbo,Kenji Monde Chem. Commun. 2022 58 6116
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Donatella Giomi,Antonella Salvini,Jacopo Ceccarelli,Alberto Brandi RSC Adv. 2021 11 14453
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Raymond Ross,Joseph Race Analyst 1911 36 213
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Devin J. Swiner,George R. Durisek,Hannah Osae,Abraham K. Badu-Tawiah RSC Adv. 2020 10 17045
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