Cas no 41329-01-5 (Cholest-5-en-3-ol (3b)-, 3-(2-ethylhexanoate))
41329-01-5 structure
Product Name:Cholest-5-en-3-ol (3b)-, 3-(2-ethylhexanoate)
CAS No:41329-01-5
MF:C35H60O2
MW:512.849711418152
CID:331987
PubChem ID:170492
Update Time:2025-04-19
Cholest-5-en-3-ol (3b)-, 3-(2-ethylhexanoate) Chemical and Physical Properties
Names and Identifiers
-
- Cholest-5-en-3-ol (3b)-, 3-(2-ethylhexanoate)
- [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-ethylhexanoate
- CHOLESTERYL 2-ETHYLHEXANOATE
- Cholest-5-en-3beta-yl 2-ethylhexanoate
- SCHEMBL5165458
- Cholest-5-en-3-ol (3beta)-, 2-ethylhexanoate
- Cholest-5-en-3-ol (3beta)-, 3-(2-ethylhexanoate)
- NS00056743
- CHOLESTERYL2-ETHYLHEXANOATE
- EINECS 255-316-3
- 41329-01-5
-
- Inchi： 1S/C35H60O2/c1-8-10-14-26(9-2)33(36)37-28-19-21-34(6)27(23-28)15-16-29-31-18-17-30(25(5)13-11-12-24(3)4)35(31,7)22-20-32(29)34/h15,24-26,28-32H,8-14,16-23H2,1-7H3/t25-,26?,28+,29+,30-,31+,32+,34+,35-/m1/s1
- InChI Key： MOWZDRPKXFFKDM-MTYNKIQNSA-N
- SMILES： O(C(C(CC)CCCC)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 542.47000
- Monoisotopic Mass: 512.45933115g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 37
- Rotatable Bond Count: 12
- Complexity: 797
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 12
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Color/Form: Not available
- PSA: 35.53000
- LogP: 10.76600
- Solubility: Not available
Cholest-5-en-3-ol (3b)-, 3-(2-ethylhexanoate) Related Literature
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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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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
41329-01-5 (Cholest-5-en-3-ol (3b)-, 3-(2-ethylhexanoate)) Related Products
- 303-43-5(Cholesteryl oleate)
- 1062-96-0(Cholesteryl hexanoate)
- 1183-04-6(Cholesteryl Decanoate)
- 604-33-1(Cholesterol Linoleate)
- 521-13-1(Cholesteryl N-Butyrate)
- 1182-42-9(Cholesterol Caprylate)
- 1908-11-8(Cholesterol Laurate)
- 1989-52-2(Cholesterol myristate)
- 1724-17-0(Methyl oleanolate)
- 633-31-8([(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate)
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