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19,20-epoxycytochalasin C

CAT: 0543-E048-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0543-E048-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189351-79-9
Applications
Cancer Research.
Purity
>99% by HPLC
Molecular Formula
C30H37NO7
Molecular Weight
523.6
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

CID 126456219
CAS Number189351-79-9
PubChem CID126456219
IUPAC Name[(1R,2S,6R,8S,10E,12R,13S,16R,17S)-17-benzyl-6,13-dihydroxy-6,8,14,15-tetramethyl-7,19-dioxo-4-oxa-18-azatetracyclo[10.7.0.01,16.03,5]nonadeca-10,14-dien-2-yl] acetate
Molecular FormulaC30H37NO7
Molecular Weight523.6
XLogP1.3
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity1060
SMILES
C[C@H]1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3[C@@]2([C@@H](C4C(O4)[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC5=CC=CC=C5)C)C)O
InChI
InChI=1S/C30H37NO7/c1-15-10-9-13-20-23(33)17(3)16(2)22-21(14-19-11-7-6-8-12-19)31-28(35)30(20,22)27(37-18(4)32)24-26(38-24)29(5,36)25(15)34/h6-9,11-13,15,20-24,26-27,33,36H,10,14H2,1-5H3,(H,31,35)/b13-9+/t15-,20-,21-,22-,23+,24?,26?,27+,29-,30-/m0/s1
InChIKey
ZOSGFLUFAVFHCM-WSRKEQNVSA-N
Chemical Structure
2D Structure
2D structure of CID 126456219
CAS: 189351-79-9
CID: 126456219
Formula: C30H37NO7
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass523.25700252
Monoisotopic Mass523.25700252
Topological Polar Surface Area125 Ų
Heavy Atom Count38
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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