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Nonactin

CAT: 0926-AN32543-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-AN32543-01Size:10 mg
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CAS Number
6833-84-7
Synonyms
Werramycin A
MDL Number
MFCD03267283
Smiles
C[C@@H]1C[C@H]2CC[C@H] (O2) [C@@H] (C (=O) O[C@H] (C[C@@H]3CC[C@@H] (O3) [C@H] (C (=O) O[C@@H] (C[C@H]4CC[C@H] (O4) [C@@H] (C (=O) O[C@H] (C[C@@H]5CC[C@@H] (O5) [C@H] (C (=O) O1) C) C) C) C) C) C) C
Molecular Formula
C40H64O12
Molecular Weight
736.93 g/mol
Controlled
No

Chemical Information

Nonactin

Nonactin is a macrotetrolide.

CAS Number6833-84-7
PubChem CID72519
IUPAC Name(1S,2S,5S,7S,10R,11R,14R,16R,19S,20S,23S,25S,28R,29R,32R,34R)-2,5,11,14,20,23,29,32-octamethyl-4,13,22,31,37,38,39,40-octaoxapentacyclo[32.2.1.17,10.116,19.125,28]tetracontane-3,12,21,30-tetrone
Molecular FormulaC40H64O12
Molecular Weight736.9
XLogP6.6
Topological Polar Surface Area142
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Heavy Atom Count52
Formal Charge0
Complexity1040
SMILES
C[C@@H]1C[C@H]2CC[C@H](O2)[C@@H](C(=O)O[C@H](C[C@@H]3CC[C@@H](O3)[C@H](C(=O)O[C@@H](C[C@H]4CC[C@H](O4)[C@@H](C(=O)O[C@H](C[C@@H]5CC[C@@H](O5)[C@H](C(=O)O1)C)C)C)C)C)C)C
InChI
InChI=1S/C40H64O12/c1-21-17-29-9-13-34(49-29)26(6)38(42)46-23(3)19-31-11-15-36(51-31)28(8)40(44)48-24(4)20-32-12-16-35(52-32)27(7)39(43)47-22(2)18-30-10-14-33(50-30)25(5)37(41)45-21/h21-36H,9-20H2,1-8H3/t21-,22+,23+,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,36-
InChIKey
RMIXHJPMNBXMBU-QIIXEHPYSA-N
Chemical Structure
2D Structure
2D structure of Nonactin
CAS: 6833-84-7
CID: 72519
Formula: C40H64O12
MW: 736.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight736.9
XLogP36.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Exact Mass736.43977747
Monoisotopic Mass736.43977747
Topological Polar Surface Area142 Ų
Heavy Atom Count52
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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B7082-5Nonactin
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TBI2090-5MGNonactin, Monovalent cation ionophore (K+ and NH4+)
N648968Nonactin (Mixture contains Monactin and Dinactin) (Technical Grade)

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