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Milbemycin Oxime Impurity 14

CAT: 1299-RM-M271014-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M271014-01Size:10 mg
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CAS Number
56198-39-1
Synonyms
(2R,2'R,4'S,5S,5'E,6R,7'Z,9'R,11'E) -4'-hydroxy-5,5',5',6,9',11'-hexamethyl-3,4,5,6-tetrahydrospiro[pyran-2,6'-2-oxa-1 (4,2) -pyrana-4 (1,2) -benzenacyclotridecaphanene]-5',7',11'-trien-3'-one
Molecular Formula
C31H42O5
Molecular Weight
494.67
Target Alternative Name
Milbemycin Oxime

Chemical Information

Milbemycin beta3

Milbemycin beta3 is a milbemycin.

CAS Number56198-39-1
PubChem CID71300428
IUPAC Name(5'S,6'R,10E,12E,14R,16E,19R,21R)-7-hydroxy-5',6,6',10,14,16-hexamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-4(9),5,7,10,12,16-hexaene-21,2'-oxane]-3-one
Molecular FormulaC31H42O5
Molecular Weight494.7
XLogP7
Topological Polar Surface Area65
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count36
Formal Charge0
Complexity874
SMILES
C[C@H]1CC[C@]2(CC3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C(/C4=C(C=C(C(=C4)O)C)C(=O)O3)\C)C)\C)O[C@@H]1C
InChI
InChI=1S/C31H42O5/c1-19-8-7-9-22(4)27-17-29(32)23(5)15-28(27)30(33)34-26-16-25(11-10-20(2)14-19)36-31(18-26)13-12-21(3)24(6)35-31/h7-10,15,17,19,21,24-26,32H,11-14,16,18H2,1-6H3/b8-7+,20-10+,22-9+/t19-,21-,24+,25+,26?,31-/m0/s1
InChIKey
PPMBESPRWFQXDF-KEMGXVBCSA-N
Chemical Structure
2D Structure
2D structure of Milbemycin beta3
CAS: 56198-39-1
CID: 71300428
Formula: C31H42O5
MW: 494.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.7
XLogP37
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass494.30322444
Monoisotopic Mass494.30322444
Topological Polar Surface Area65 Ų
Heavy Atom Count36
Formal Charge0
Complexity874
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-M271003-01Milbemycin A4 Oxime; Milbemite Impurity 3
RM-M271001-01Milbemycin Oxime EP Impurity B; Milbemectin A3; Milbemite Impurity 1
RM-M271002-01Milbemycin A3 Oxime; Milbemite Impurity 2
RM-M271008-01Milbemycin Oxime EP Impurity G; Milbemite Impurity 8

Alternative Products

CatalogName
M015-10MGMilbemycin oxime
AR-M04690-01Milbemycin Oxime (Mixture of Milbemycin Oxime A3 and A4)
456236-01Milbemycin Oxime (Mixture of Milbemycin Oxime A3 and Milbemycin Oxime A4, 80:20)
M060-1MGMilbemycin A4 oxime

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