Cas no 64907-37-5 ([(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate)
![[(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate structure](https://ossimg.kuujia.com/scimg/65000/64907-37-5x500.png)
64907-37-5 structure
Product Name:[(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate
CAS No:64907-37-5
MF:C27H42O4
MW:430.619988918304
CID:509001
PubChem ID:11004515
Update Time:2024-03-01
[(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate Chemical and Physical Properties
Names and Identifiers
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- 24-Norchol-5-ene-3,23-diol,diacetate, (3b)-(9CI)
- 3,23-diacetoxy-24-nor-5-cholene
- [(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecah
- [(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate
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- Inchi： 1S/C27H42O4/c1-17(12-15-30-18(2)28)23-8-9-24-22-7-6-20-16-21(31-19(3)29)10-13-26(20,4)25(22)11-14-27(23,24)5/h6,17,21-25H,7-16H2,1-5H3/t17-,21+,22+,23-,24+,25+,26+,27-/m1/s1
- InChI Key： LBWUGMHLKGSGFE-DZGKNTOBSA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCOC(C)=O)CC[C@H]21
Computed Properties
- Exact Mass: 430.30830982g/mol
- Monoisotopic Mass: 430.30830982g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 7
- Complexity: 742
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
- XLogP3: 6.4
[(3R)-3-[(3S,8S,9S,10R,13R,14S,17R)-3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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2. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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