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Interiorin D

CAT: 0013-GTR19218307Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218307Size:5 mg
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Description
Interiorin D is a natural product of research interest. It serves as a biochemical tool for in vitro studies in natural product chemistry and pharmacology, investigating the bioactivity of marine-derived compounds.
CAS Number
133360-40-4
Smiles
O=C (OC1C2=CC=3OCOC3C=4OCC5 (C (OC) =C (OC) C (=O) C=C5CC (C) C1C) C42) C=6C=CC=CC6
Molecular Formula
C29H28O8
Molecular Weight
504.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Interiorin D
CAS Number133360-40-4
PubChem CID14755545
IUPAC Name(19,20-dimethoxy-13,14-dimethyl-18-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,19-pentaen-12-yl) benzoate
Molecular FormulaC29H28O8
Molecular Weight504.5
XLogP4.5
Topological Polar Surface Area89.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity996
SMILES
CC1CC2=CC(=O)C(=C(C23COC4=C3C(=CC5=C4OCO5)C(C1C)OC(=O)C6=CC=CC=C6)OC)OC
InChI
InChI=1S/C29H28O8/c1-15-10-18-11-20(30)24(32-3)27(33-4)29(18)13-34-26-22(29)19(12-21-25(26)36-14-35-21)23(16(15)2)37-28(31)17-8-6-5-7-9-17/h5-9,11-12,15-16,23H,10,13-14H2,1-4H3
InChIKey
CDTXQJPXMUPNAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Interiorin D
CAS: 133360-40-4
CID: 14755545
Formula: C29H28O8
MW: 504.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.5
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass504.17841785
Monoisotopic Mass504.17841785
Topological Polar Surface Area89.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity996
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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