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Morindin

CAT: 0926-KCA45021-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-KCA45021-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60450-21-7
Smiles
CC1=C (C2=C (C=C1) C (=O) C3=C (C2=O) C=CC (=C3O) OC4C (C (C (C (O4) COC5C (C (C (CO5) O) O) O) O) O) O) O
Molecular Formula
C26H28O14
Molecular Weight
564.5 g/mol
Controlled
No

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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