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Stambomycin A

CAT: 0013-GTR19256332-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256332-02Size:50 mg
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Description
Stambomycin A is a type of polyketide antibiotic.
CAS Number
1263082-06-9
Field of Research
Infectious Disease & Virology
Smiles
O ([C@@H]1[C@@H] (C) C2 (O) O[C@@] (C1) ([C@@H] (C) [C@H] (O) \C (\C) =C\C=C\C[C@@H] (O) [C@H] (C) [C@@H] (O) CCC[C@@H] (O) C[C@H] (O) \C (\C) =C\[C@H] (CCCCC (CC) C) [C@@H] (O) C (O) CC[C@@H] (O) C[C@H] (O) C[C@@H] (O) [C@@H] (C) CC[C@@H] (O) [C@H] (C) [C@@H] (O) CCC[C@H] (O) C[C@H] (O) \C=C\C (C) OC (=O) C2) [H]) C3[C@H] (O) [C@@H] (N (C) C) [C@H] (O) [C@@H] (C) O3
Molecular Formula
C74H135NO22
Molecular Weight
1390.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(6E,8S,10S,14S,15R,16R,19S,20R,22S,24R,28R,29S,30E,32S,34R,38S,39R,40R,42E,44E,46S,47S,48S,50S,51R)-50-[(3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(5-methylheptyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one
CAS Number1263082-06-9
PubChem CID173003076
IUPAC Name(6E,8S,10S,14S,15R,16R,19S,20R,22S,24R,28R,29S,30E,32S,34R,38S,39R,40R,42E,44E,46S,47S,48S,50S,51R)-50-[(3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(5-methylheptyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one
Molecular FormulaC74H135NO22
Molecular Weight1390.9
XLogP5.4
Topological Polar Surface Area401
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count23
Rotatable Bond Count9
Heavy Atom Count97
Formal Charge0
Complexity2290
SMILES
CCC(C)CCCC[C@H]1/C=C(/[C@H](C[C@@H](CCC[C@@H]([C@H]([C@@H](C/C=C/C=C(/[C@H]([C@@H]([C@@H]2C[C@@H]([C@H](C(O2)(CC(=O)OC(/C=C/[C@H](C[C@H](CCC[C@@H]([C@H]([C@@H](CC[C@@H]([C@@H](C[C@H](C[C@@H](CCC([C@@H]1O)O)O)O)O)C)O)C)O)O)O)C)O)C)OC3[C@@H]([C@H]([C@@H]([C@H](O3)C)O)N(C)C)O)C)O)\C)O)C)O)O)O)\C
InChI
InChI=1S/C74H135NO22/c1-14-42(2)21-15-17-23-52-35-45(5)64(87)38-54(77)25-20-28-59(82)47(7)58(81)26-18-16-22-44(4)69(89)49(9)65-40-66(96-73-72(92)68(75(12)13)70(90)51(11)95-73)50(10)74(93,97-65)41-67(88)94-46(6)30-31-55(78)36-53(76)24-19-27-60(83)48(8)61(84)33-29-43(3)63(86)39-57(80)37-56(79)32-34-62(85)71(52)91/h16,18,22,30-31,35,42-43,46-66,68-73,76-87,89-93H,14-15,17,19-21,23-29,32-34,36-41H2,1-13H3/b18-16+,31-30+,44-22+,45-35+/t42?,43-,46?,47-,48+,49+,50+,51+,52-,53-,54+,55+,56+,57-,58+,59-,60-,61+,62?,63+,64-,65-,66-,68-,69+,70+,71+,72+,73?,74?/m0/s1
InChIKey
UODBAXQXRPNOGN-MJIQFHLOSA-N
Chemical Structure
2D Structure
2D structure of (6E,8S,10S,14S,15R,16R,19S,20R,22S,24R,28R,29S,30E,32S,34R,38S,39R,40R,42E,44E,46S,47S,48S,50S,51R)-50-[(3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,8,10,14,16,20,22,24,27,28,32,34,38,40,46-pentadecahydroxy-5,15,19,31,39,45,47,51-octamethyl-29-(5-methylheptyl)-4,52-dioxabicyclo[46.3.1]dopentaconta-6,30,42,44-tetraen-3-one
CAS: 1263082-06-9
CID: 173003076
Formula: C74H135NO22
MW: 1390.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1390.9
XLogP35.4
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count23
Rotatable Bond Count9
Exact Mass1389.94757493
Monoisotopic Mass1389.94757493
Topological Polar Surface Area401 Ų
Heavy Atom Count97
Formal Charge0
Complexity2290
Isotope Atom Count0
Defined Atom Stereocenter Count25
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN10016-01Stambomycin A

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