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Micrantherin A

CAT: 0013-GTR19242795-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242795-01Size:50 mg
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Description
Micrantherin A is a natural product compound for scientific research. It is utilized in life sciences studies, including in vitro investigations of its biological activity and potential mechanisms.
CAS Number
877994-30-4
Smiles
O=C (OC1 (C) CC2=CC (OC) =C (OC) C (OC) =C2C=3C (O) =C (OC) C (OC) =CC3CC1C) C (=CC) C
Molecular Formula
C28H36O8
Molecular Weight
500.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(16-Hydroxy-3,4,5,14,15-pentamethoxy-9,10-dimethyl-9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) 2-methylbut-2-enoate
CAS Number877994-30-4
PubChem CID176419436
IUPAC Name(16-hydroxy-3,4,5,14,15-pentamethoxy-9,10-dimethyl-9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) 2-methylbut-2-enoate
Molecular FormulaC28H36O8
Molecular Weight500.6
XLogP5.5
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity771
SMILES
CC=C(C)C(=O)OC1(CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)O)OC)OC)OC)C
InChI
InChI=1S/C28H36O8/c1-10-15(2)27(30)36-28(4)14-18-13-20(32-6)25(34-8)26(35-9)22(18)21-17(11-16(28)3)12-19(31-5)24(33-7)23(21)29/h10,12-13,16,29H,11,14H2,1-9H3
InChIKey
KOSCRALXNVWXDC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (16-Hydroxy-3,4,5,14,15-pentamethoxy-9,10-dimethyl-9-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl) 2-methylbut-2-enoate
CAS: 877994-30-4
CID: 176419436
Formula: C28H36O8
MW: 500.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass500.24101810
Monoisotopic Mass500.24101810
Topological Polar Surface Area92.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN8781-01Micrantherin A

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