Eprinomectin B1b EvoPure®

CAT: 0543-E052-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No

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CAT#:0543-E052-0.5MGSize:0.5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

133305-89-2

Applications

Microbiology.

Purity

>99.0%

Molecular Formula

C49H73NO14

Molecular Weight

900.1

Shipping Conditions

Ambient

Storage Conditions

-20°C

Chemical Information

eprinomectin B1b

CAS Number	133305-89-2
PubChem CID	20055319
IUPAC Name	N-[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide
Molecular Formula	C49H73NO14
Molecular Weight	900.1
XLogP	3.5
Topological Polar Surface Area	179
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Heavy Atom Count	64
Formal Charge	0
Complexity	1830

SMILES

C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)NC(=O)C)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O

InChI

InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12+,27-15+,33-14+/t26-,28-,30-,31-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,48+,49+/m0/s1

InChIKey

WPNHOHPRXXCPRA-FZTOWWROSA-N

Chemical Structure

2D Structure

CAS: 133305-89-2

CID: 20055319

Formula: C49H73NO14

MW: 900.1

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	900.1
XLogP3	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	8
Exact Mass	899.50310600
Monoisotopic Mass	899.50310600
Topological Polar Surface Area	179 Å²
Heavy Atom Count	64
Formal Charge	0
Complexity	1830
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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