Cas no 79243-67-7 (Androstan-3-one,17-hydroxy-1-methyl-17-propyl-, (1a,5a,17b)- (9CI))
79243-67-7 structure
Product Name:Androstan-3-one,17-hydroxy-1-methyl-17-propyl-, (1a,5a,17b)- (9CI)
CAS No:79243-67-7
MF:C23H38O2
MW:346.546627521515
CID:563454
PubChem ID:71232
Update Time:2025-04-19
Androstan-3-one,17-hydroxy-1-methyl-17-propyl-, (1a,5a,17b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androstan-3-one,17-hydroxy-1-methyl-17-propyl-, (1a,5a,17b)- (9CI)
- 17beta-hydroxy-1alpha-methyl-17alpha-propyl-5alpha-androstan-3-one
- 17-propylmesterolone
- PROPYLMESTEROLONE
- Rosterolone
- SH-434
- (1S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-1,10,13-trimethyl-17-propyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- 3L5C5C8ZNG
- IMFNBOMNWHWKQD-MXENSADDSA-N
- SH 434
- 79243-67-7
- DTXSID801033022
- 17beta-hydroxy-1alpha-methyl-17alpha-n-propyl-5alpha-androstan-3-one
- UNII-3L5C5C8ZNG
- NS00060545
- EINECS 279-119-7
- SCHEMBL141283
- Rosterolone [INN]
- CHEMBL2107498
- Q15633968
- CCRIS 6531
- 17-hydroxy-1-methyl-17-propylandrostan-3-one
- 17beta-Hydroxy-1alpha-methyl-17-propyl-5alpha-androstan-3-one
-
- Inchi： 1S/C23H38O2/c1-5-10-23(25)12-9-19-18-7-6-16-14-17(24)13-15(2)22(16,4)20(18)8-11-21(19,23)3/h15-16,18-20,25H,5-14H2,1-4H3/t15-,16-,18-,19-,20-,21-,22-,23-/m0/s1
- InChI Key： IMFNBOMNWHWKQD-MXENSADDSA-N
- SMILES： O[C@@]1(CCC)CC[C@H]2[C@@H]3CC[C@H]4CC(C[C@H](C)[C@]4(C)[C@H]3CC[C@@]21C)=O
Computed Properties
- Exact Mass: 346.28700
- Monoisotopic Mass: 346.287180451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 556
- 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
- XLogP3: 5.3
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.30000
- LogP: 5.37540
Androstan-3-one,17-hydroxy-1-methyl-17-propyl-, (1a,5a,17b)- (9CI) Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
79243-67-7 (Androstan-3-one,17-hydroxy-1-methyl-17-propyl-, (1a,5a,17b)- (9CI)) Related Products
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