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Filipin

CAT: 0926-BF162725-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-BF162725-02Size:100 mg
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CAS Number
11078-21-0
MDL Number
MFCD00131073
Smiles
CCCCCC (C1C (CC (CC (CC (CC (CC (CC (C (=CC=CC=CC=CC=CC (C (OC1=O) C) O) C) O) O) O) O) O) O) O) O
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

Filipin

Filipin III is a macrolide that is the major component of a mixture of four isomeric polyene macrolides isolated from Streptomyces filipinensis. It has a role as a fluorescent probe and a bacterial metabolite. It is a macrolide, a polyol and an olefinic compound.

CAS Number11078-21-0
PubChem CID6433194
IUPAC Name(3R,4S,6S,8S,10R,12R,14R,16S,17E,19E,21E,23E,25E,27S,28R)-4,6,8,10,12,14,16,27-octahydroxy-3-[(1R)-1-hydroxyhexyl]-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one
Molecular FormulaC35H58O11
Molecular Weight654.8
XLogP3.2
Topological Polar Surface Area208
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count46
Formal Charge0
Complexity991
SMILES
CCCCC[C@H]([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)O
InChI
InChI=1S/C35H58O11/c1-4-5-11-16-31(42)34-33(44)22-29(40)20-27(38)18-25(36)17-26(37)19-28(39)21-32(43)23(2)14-12-9-7-6-8-10-13-15-30(41)24(3)46-35(34)45/h6-10,12-15,24-34,36-44H,4-5,11,16-22H2,1-3H3/b7-6+,10-8+,12-9+,15-13+,23-14+/t24-,25+,26-,27+,28-,29+,30+,31-,32+,33+,34-/m1/s1
InChIKey
IMQSIXYSKPIGPD-YQRUMEKGSA-N
Chemical Structure
2D Structure
2D structure of Filipin
CAS: 11078-21-0
CID: 6433194
Formula: C35H58O11
MW: 654.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.8
XLogP33.2
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass654.39791266
Monoisotopic Mass654.39791266
Topological Polar Surface Area208 Ų
Heavy Atom Count46
Formal Charge0
Complexity991
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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