Cas no 95632-86-3 (Retinol,3,4-didehydro-, hexadecanoate (9CI))
95632-86-3 structure
Product Name:Retinol,3,4-didehydro-, hexadecanoate (9CI)
CAS No:95632-86-3
MF:C36H58O2
MW:522.844531536102
CID:807057
PubChem ID:6438628
Update Time:2025-04-19
Retinol,3,4-didehydro-, hexadecanoate (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Retinol,3,4-didehydro-, hexadecanoate (9CI)
- [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate
- 3-dehydroretinol palmitate
- 3-Dehydroretinyl palmitate
- Retinol, 3,4-didehydro-, hexadecanoate
- 3,4-Didehydroretinol hexadecanoate
- 95632-86-3
-
- Inchi： 1S/C36H58O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20-24,26-28H,7-19,25,29-30H2,1-6H3/b23-20+,27-26+,31-22+,32-28+
- InChI Key： ZQHLSEHYDHBGRB-FFHKNEKCSA-N
- SMILES： O(C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C=CCC1(C)C)C(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 522.44368109g/mol
- Monoisotopic Mass: 522.44368109g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 38
- Rotatable Bond Count: 21
- Complexity: 845
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.3
- Topological Polar Surface Area: 26.3?2
Retinol,3,4-didehydro-, hexadecanoate (9CI) Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
95632-86-3 (Retinol,3,4-didehydro-, hexadecanoate (9CI)) Related Products
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