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Filipin II

CAT: 0543-F026-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0543-F026-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38620-77-8
Applications
Cancer Research, Microbiology.
Purity
>95% by HPLC
Molecular Formula
C35H58O10
Molecular Weight
638.8
Shipping Conditions
Ambient
Storage Conditions
-20°C

Chemical Information

Filipin II

Filipin II is a macrolide.

CAS Number38620-77-8
PubChem CID101282739
IUPAC Name(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-3-hexyl-4,6,8,10,12,14,16,27-octahydroxy-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Molecular FormulaC35H58O10
Molecular Weight638.8
XLogP4
Topological Polar Surface Area188
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count45
Formal Charge0
Complexity958
SMILES
CCCCCC[C@@H]1[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@H](C[C@@H](/C(=C/C=C/C=C/C=C/C=C/[C@@H]([C@H](OC1=O)C)O)/C)O)O)O)O)O)O)O
InChI
InChI=1S/C35H58O10/c1-4-5-6-13-16-31-34(43)23-30(40)21-28(38)19-26(36)18-27(37)20-29(39)22-33(42)24(2)15-12-10-8-7-9-11-14-17-32(41)25(3)45-35(31)44/h7-12,14-15,17,25-34,36-43H,4-6,13,16,18-23H2,1-3H3/b8-7+,11-9+,12-10+,17-14+,24-15+/t25-,26+,27-,28+,29-,30+,31-,32+,33+,34+/m1/s1
InChIKey
YMIXNQVKVPYZHL-YWSRBNGNSA-N
Chemical Structure
2D Structure
2D structure of Filipin II
CAS: 38620-77-8
CID: 101282739
Formula: C35H58O10
MW: 638.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight638.8
XLogP34
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass638.40299804
Monoisotopic Mass638.40299804
Topological Polar Surface Area188 Ų
Heavy Atom Count45
Formal Charge0
Complexity958
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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