[10,13-dimethyl-16-...

[10,13-dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate 51869-38-6

[10,13-dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate 51869-38-6

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 98% min
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Keywords

Bufa-14,20,22-trienolide,3-(acetyloxy)-16-oxo-, (3b,5b)- (9CI) 51869-38-6 98%

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  • Appearance:Liquid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:10|Kilogram|Month
  • Storage:room temperature
  • Transportation:as requested

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Details:

Identification and Related Records
【Name】
Bufa-14,20,22-trienolide,3-(acetyloxy)-16-oxo-, (3b,5b)- (9CI)
【Iupac name】
[10,13-dimethyl-16-oxo-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,
17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
【CAS Registry number】
51869-38-6
【Synonyms】
3b-Acetoxy-16-oxo-5b-bufa-14,20,22-trienolide
NSC248529
【Molecular Formula】
C26H32 O5 (Products with the same molecular formula)
【Molecular Weight】
424.5293
【Inchi】
InChI=1/C26H32O5/c1-15(27)31-18-8-10-25(2)17(12-18)5-6-19-20(25)9-11-26(3)21(19)13-22(28)24(26)16-4-7-23(29)30-14-16/h4,7,13-14,17-20,24H,5-6,8-12H2,1-3H3
【Canonical SMILES】
CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3=CC(=O)C4C5=COC(=O)C=C5)C)C
Chemical and Physical Properties
【Density】
1.22g/cm3
【Boiling Point】
588°Cat760mmHg
【Refractive Index】
1.578
【Flash Point】
252.9°C
【Computed Properties】
Molecular Weight:424.52928 [g/mol]
Molecular Formula:C26H32O5
XLogP3-AA:4.3
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:3
Tautomer Count:5
Exact Mass:424.224974
MonoIsotopic Mass:424.224974
Topological Polar Surface Area:69.7
Heavy Atom Count:31
Formal Charge:0
Complexity:926
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:7
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

 

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