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Morindin

CAT: 0013-GTR19164389Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164389Size:5 mg
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Description
Morindin is a compound with a purity of > 98%, a CAS number of 60450-21-7, and a molecular weight of 564.5.
CAS Number
60450-21-7
Purity
> 98%
Molecular Formula
C26H28O14
Molecular Weight
564.5
Notes
For research use only.
Applications Notes
Anthraquinones

Chemical Information

Morindin

morindin has been reported in Morinda citrifolia and Gynochthodes umbellata with data available.

CAS Number60450-21-7
PubChem CID151621
IUPAC Name1,5-dihydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
Molecular FormulaC26H28O14
Molecular Weight564.5
XLogP-0.6
Topological Polar Surface Area233
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity933
SMILES
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O)O)O
InChI
InChI=1S/C26H28O14/c1-8-2-3-9-14(16(8)28)17(29)10-4-5-12(20(32)15(10)18(9)30)39-26-24(36)22(34)21(33)13(40-26)7-38-25-23(35)19(31)11(27)6-37-25/h2-5,11,13,19,21-28,31-36H,6-7H2,1H3/t11-,13-,19+,21-,22+,23-,24-,25+,26-/m1/s1
InChIKey
UVLAQGRQOILFBG-UHCLWRNRSA-N
Chemical Structure
2D Structure
2D structure of Morindin
CAS: 60450-21-7
CID: 151621
Formula: C26H28O14
MW: 564.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight564.5
XLogP3-0.6
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass564.14790556
Monoisotopic Mass564.14790556
Topological Polar Surface Area233 Ų
Heavy Atom Count40
Formal Charge0
Complexity933
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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