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YM 26734

CAT: 0013-GTR19200668-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200668-02Size:5 mg
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Description
YM 26734
CAS Number
144337-18-8
Field of Research
Metabolism Research
Smiles
CCCCCCCCCCCC (=O) c1c (O) c (C2CC (Oc3cc (O) ccc23) c2ccc (O) cc2) c (O) c (C (=O) CCCCCCCCCCC) c1O
Molecular Formula
C45H62O8
Molecular Weight
730.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

YM 26734

inhibits group II phospholipase A2; structure given in first source

CAS Number144337-18-8
PubChem CID9853400
IUPAC Name1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
Molecular FormulaC45H62O8
Molecular Weight731.0
XLogP14.3
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count24
Heavy Atom Count53
Formal Charge0
Complexity980
SMILES
CCCCCCCCCCCC(=O)C1=C(C(=C(C(=C1O)C2CC(OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)C(=O)CCCCCCCCCCC)O
InChI
InChI=1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3
InChIKey
CEJAYJCUSZHYDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YM 26734
CAS: 144337-18-8
CID: 9853400
Formula: C45H62O8
MW: 731.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight731.0
XLogP314.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count24
Exact Mass730.44446893
Monoisotopic Mass730.44446893
Topological Polar Surface Area145 Ų
Heavy Atom Count53
Formal Charge0
Complexity980
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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