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19-Oxocinobufatolin

CAT: 0926-ZAA51260-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-ZAA51260-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
24512-60-5
MDL Number
MFCD29765869
Smiles
CC (=O) OC1C (C2 (CCC3C (C24C1O4) CCC5 (C3 (CCC (C5) O) C=O) O) C) C6=COC (=O) C=C6
Molecular Formula
C26H32O8
Molecular Weight
472.5 g/mol
Controlled
No

Chemical Information

Npc97210
CAS Number24512-60-5
PubChem CID102093790
IUPAC Name[(1R,2S,4R,5R,6R,7R,10S,11S,14S,16S)-11-formyl-14,16-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-5-yl] acetate
Molecular FormulaC26H32O8
Molecular Weight472.5
XLogP1.3
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity1020
SMILES
CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C=O)O)C)C6=COC(=O)C=C6
InChI
InChI=1S/C26H32O8/c1-14(28)33-21-20(15-3-4-19(30)32-12-15)23(2)8-6-17-18(26(23)22(21)34-26)7-10-25(31)11-16(29)5-9-24(17,25)13-27/h3-4,12-13,16-18,20-22,29,31H,5-11H2,1-2H3/t16-,17-,18+,20-,21+,22+,23+,24-,25-,26+/m0/s1
InChIKey
RDQNOOHJEOAAIW-FSVQXUKKSA-N
Chemical Structure
2D Structure
2D structure of Npc97210
CAS: 24512-60-5
CID: 102093790
Formula: C26H32O8
MW: 472.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.5
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass472.20971797
Monoisotopic Mass472.20971797
Topological Polar Surface Area123 Ų
Heavy Atom Count34
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
ARC0416KU-19-19
138560-AFKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19)
138560-AF-FITCKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (FITC)
138560-AF-BiotinKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (Biotin)
138560-AF-APCKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (APC)
138560-AF-PEKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (PE)
138560-AF-HRPKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (HRP)
228188Cytokeratin 19 (Keratin 19)
075-08PR-19 (1-19)
MBS6122291-01Keratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19) (AP)

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