Cas no 5259-20-1 ([10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate)
![[10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate structure](https://ossimg.kuujia.com/scimg/5500/5259-20-1x500.png)
5259-20-1 structure
Product Name:[10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate
CAS No:5259-20-1
MF:C30H50O2
MW:442.716809749603
CID:937152
PubChem ID:265686
Update Time:2025-04-19
[10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate Chemical and Physical Properties
Names and Identifiers
-
- [10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate
- NSC-102012
- NSC102012
- DTXSID10967019
- 14-methylcholest-7-en-3-yl acetate
- 5259-20-1
-
- Inchi： 1S/C30H50O2/c1-20(2)9-8-10-21(3)25-14-17-30(7)27-12-11-23-19-24(32-22(4)31)13-16-28(23,5)26(27)15-18-29(25,30)6/h12,20-21,23-26H,8-11,13-19H2,1-7H3
- InChI Key： NSCDXTUACLUGIN-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1CCC2(C)C(C1)CC=C1C2CCC2(C)C(C(C)CCCC(C)C)CCC21C
Computed Properties
- Exact Mass: 442.3813
- Monoisotopic Mass: 442.381
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 7
- Complexity: 737
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.4
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.99
- Boiling Point: 497.3°C at 760 mmHg
- Flash Point: 251.3°C
- Refractive Index: 1.514
- PSA: 26.3
- LogP: 8.34960
[10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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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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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
5259-20-1 ([10,13,14-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] Acetate) Related Products
- 1062-96-0(Cholesteryl hexanoate)
- 1183-04-6(Cholesteryl Decanoate)
- 604-33-1(Cholesterol Linoleate)
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- 521-13-1(Cholesteryl N-Butyrate)
- 1182-42-9(Cholesterol Caprylate)
- 1908-11-8(Cholesterol Laurate)
- 1182-66-7(Cholesteryl pelargonate)
- 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)
- 604-35-3(Cholesterol 3-Acetate)
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