Cas no 55064-20-5 (Ergost-5-en-3-ol, octadecanoate, (3b,24R)-)
55064-20-5 structure
Product Name:Ergost-5-en-3-ol, octadecanoate, (3b,24R)-
CAS No:55064-20-5
MF:C46H82O2
MW:667.142095088959
CID:4033625
PubChem ID:13828683
Update Time:2025-04-22
Ergost-5-en-3-ol, octadecanoate, (3b,24R)- Chemical and Physical Properties
Names and Identifiers
-
- Ergost-5-en-3-ol, octadecanoate, (3b,24R)-
- Ergost-5-en-3-ol, 3-octadecanoate, (3β,24R)-
- Campesteryl stearate
- ERGOST-5-EN-3-OL, 3-OCTADECANOATE, (3.BETA.,24R)-
- Campesteryl octadecanoate
- Ergost-5-en-3-ol, 3-octadecanoate, (3beta,24R)-
- 18:0 Campesteryl ester
- SCHEMBL15715883
- LMST01020044
- DTXSID301315011
- UNII-1YO983278O
- Campesterol octadecanoate
- Q27896611
- 1YO983278O
- 55064-20-5
- campest-5-en-3beta-yl octadecanoate
- Campesterol, stearate
-
- Inchi： 1S/C46H82O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h26,35-37,39-43H,8-25,27-34H2,1-7H3/t36-,37-,39+,40+,41-,42+,43+,45+,46-/m1/s1
- InChI Key： MUHWUERCGJWBKA-RQWWKNGZSA-N
- SMILES： O(C(CCCCCCCCCCCCCCCCC)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC[C@@H](C)C(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 666.63148185g/mol
- Monoisotopic Mass: 666.63148185g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 48
- Rotatable Bond Count: 23
- Complexity: 965
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 17.8
- Topological Polar Surface Area: 26.3?2
Ergost-5-en-3-ol, octadecanoate, (3b,24R)- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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