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Dehydroaglaiastatin

CAT: 0804-HY-N9052-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N9052-01Size:1 mg
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Description
Dehydroaglaiastatin is a Alkaloids product that can be isolated from the herbs of Aglaia odorata Lour[1].
CAS Number
155595-93-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/dehydroaglaiastatin.html
Smiles
O[C@]12[C@](OC3=CC(OC)=CC(OC)=C32)(C4=CC=C(C=C4)OC)[C@H](C5=CC=CC=C5)C6=C1N=C7N(CCC7)C6=O
Molecular Formula
C31H28N2O6
Molecular Weight
524.56
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Dehydroaglaiastatin
CAS Number155595-93-0
PubChem CID5320808
IUPAC Name(2S,10R,11R)-2-hydroxy-4,6-dimethoxy-10-(4-methoxyphenyl)-11-phenyl-9-oxa-14,19-diazapentacyclo[10.7.0.02,10.03,8.014,18]nonadeca-1(12),3(8),4,6,18-pentaen-13-one
Molecular FormulaC31H28N2O6
Molecular Weight524.6
XLogP2.7
Topological Polar Surface Area89.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity1050
SMILES
COC1=CC=C(C=C1)[C@]23[C@@H](C4=C([C@]2(C5=C(O3)C=C(C=C5OC)OC)O)N=C6CCCN6C4=O)C7=CC=CC=C7
InChI
InChI=1S/C31H28N2O6/c1-36-20-13-11-19(12-14-20)31-26(18-8-5-4-6-9-18)25-28(32-24-10-7-15-33(24)29(25)34)30(31,35)27-22(38-3)16-21(37-2)17-23(27)39-31/h4-6,8-9,11-14,16-17,26,35H,7,10,15H2,1-3H3/t26-,30+,31+/m1/s1
InChIKey
YCIPQJTZJGUXND-JZRGNDHQSA-N
Chemical Structure
2D Structure
2D structure of Dehydroaglaiastatin
CAS: 155595-93-0
CID: 5320808
Formula: C31H28N2O6
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass524.19473662
Monoisotopic Mass524.19473662
Topological Polar Surface Area89.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FGA59593-01Dehydroaglaiastatin

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