Androstane-3,11,17-triol,9-fluoro-17-methyl-, (3a,5b,11b,17b)- (9CI) 53649-14-2 CAS NO.53649-14-2

Min.Order: 1 Gram
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Product Details

Keywords

Androstane-3,11,17-triol,9-fluoro-17-methyl-, (3a,5b,11b,17b)- (9CI)
53649-14-2
C20H33 FO3

Quick Details

ProName: Androstane-3,11,17-triol,9-fluoro-17-m...
CasNo: 53649-14-2
Molecular Formula: C20H33 FO3
Appearance: Solid
Application: Organic Chemicals
DeliveryTime: As client's demand quantity
PackAge: as requested
Port: SHANGHAI
ProductionCapacity: 100 Kilogram/Month
Purity: 99%
Storage: room temperature
Transportation: as requested
LimitNum: 1 Gram
Heavy metal: N/A
Grade: Industrial Grade

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Details

Identification and Related Records
【Name】
Androstane-3,11,17-triol,9-fluoro-17-methyl-, (3a,5b,11b,17b)- (9CI)
【Iupac name】
(3R,5R,8S,9R,10S,11S,13S,14S,17S)-9-fluoro-10,13,17-trimethyl-2,3,4,5,6,
7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,
17-triol
【CAS Registry number】
53649-14-2
【Synonyms】
5b-Androstane-3a,11b,17b-triol, 9-fluoro-17-methyl- (6CI)
9a-Fluoro-17a-methyl-5b-androstane-3a,11b,17-triol
9a-Fluoro-17a-methyl-5b-androstane-3a,11b,17b-triol
NSC 23596
U 7034
【Molecular Formula】
C20H33 F O3 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C20H33FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h12-16,22-24H,4-11H2,1-3H3/t12-,13-,14+,15+,16+,17+,18+,19+,20+/m1/s1
【Canonical SMILES】
CC12CCC(CC1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F)O
【Isomers smiles】
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)
O)F)O
Chemical and Physical Properties
【Density】
1.19g/cm3
【Boiling Point】
458.2°Cat760mmHg
【Refractive Index】
1.554
【Flash Point】
230.9°C
【Computed Properties】
Molecular Weight:340.472623 [g/mol]
Molecular Formula:C20H33FO3
XLogP3-AA:3
H-Bond Donor:3
H-Bond Acceptor:4
Rotatable Bond Count:0
Exact Mass:340.241373
MonoIsotopic Mass:340.241373
Topological Polar Surface Area:60.7
Heavy Atom Count:24
Formal Charge:0
Complexity:541
Isotope Atom Count:0
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:3
Feature 3D Ring Count:4
Effective Rotor Count:2.2
Conformer Sampling RMSD:0.6
CID Conformer Count:1

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