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Radermachol

CAT: 0013-GTR19192959-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192959-01Size:25 mg
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Description
Radermachol
CAS Number
95378-00-0
Smiles
O=C1C=2C=CC=CC2C (=O) C=3C (O) =C4C=CC=CC4=C5OC (C=C (C) C) =C1C53
Molecular Formula
C24H16O4
Molecular Weight
368.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Radermachol

20-hydroxy-11-(2-methylprop-1-en-1-yl)-10-oxapentacyclo[10.8.1.0³,⁸.0⁹,²¹.0¹⁴,¹⁹]henicosa-1(20),3,5,7,9(21),11,14,16,18-nonaene-2,13-dione has been reported in Radermachera xylocarpa with data available.

CAS Number95378-00-0
PubChem CID125319
IUPAC Name20-hydroxy-11-(2-methylprop-1-enyl)-10-oxapentacyclo[10.8.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9(21),11,14,16,18-nonaene-2,13-dione
Molecular FormulaC24H16O4
Molecular Weight368.4
XLogP5.4
Topological Polar Surface Area67.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count28
Formal Charge0
Complexity759
SMILES
CC(=CC1=C2C3=C(O1)C4=CC=CC=C4C(=O)C3=C(C5=CC=CC=C5C2=O)O)C
InChI
InChI=1S/C24H16O4/c1-12(2)11-17-18-19-20(22(26)14-8-4-3-7-13(14)21(18)25)23(27)15-9-5-6-10-16(15)24(19)28-17/h3-11,26H,1-2H3
InChIKey
FJMOHENJJBVOBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Radermachol
CAS: 95378-00-0
CID: 125319
Formula: C24H16O4
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass368.10485899
Monoisotopic Mass368.10485899
Topological Polar Surface Area67.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-121564Radermachol

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