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Dodovisone C

CAT: 0013-GTR19228251-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228251-01Size:1 mg
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Description
Dodovisone C
CAS Number
1616683-52-3
Smiles
O (C) C1=C (OC=2C (C1=O) =C (O) C (OC) =C (O) C2) C=3C=C4C (=C (CCC (CO) C) C3) OC (C) (C) C=C4
Molecular Formula
C27H30O8
Molecular Weight
482.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dodovisone C
CAS Number1616683-52-3
PubChem CID129713964
IUPAC Name5,7-dihydroxy-2-[8-(4-hydroxy-3-methylbutyl)-2,2-dimethylchromen-6-yl]-3,6-dimethoxychromen-4-one
Molecular FormulaC27H30O8
Molecular Weight482.5
XLogP4.8
Topological Polar Surface Area115
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity835
SMILES
CC(CCC1=CC(=CC2=C1OC(C=C2)(C)C)C3=C(C(=O)C4=C(O3)C=C(C(=C4O)OC)O)OC)CO
InChI
InChI=1S/C27H30O8/c1-14(13-28)6-7-15-10-17(11-16-8-9-27(2,3)35-23(15)16)24-26(33-5)22(31)20-19(34-24)12-18(29)25(32-4)21(20)30/h8-12,14,28-30H,6-7,13H2,1-5H3
InChIKey
FMYMDXKGXKDGNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dodovisone C
CAS: 1616683-52-3
CID: 129713964
Formula: C27H30O8
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass482.19406791
Monoisotopic Mass482.19406791
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity835
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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