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Curcucomoside D

CAT: 0013-GTR19228067-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19228067-02Size:5 mg
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Description
Curcucomoside D (CAS 1427511-60-1) is a research chemical used in life science studies. It serves as a biochemical tool for in vitro investigations into biological pathways and has been referenced in research exploring natural product chemistry and bioactivity.
CAS Number
1427511-60-1
Smiles
COc1cc (O) c2c (c1) oc (-c1ccc (O) cc1) c (O[C@@H]1OC[C@H] (O) [C@H] (O) [C@H]1O[C@@H]1O[C@@H] (C) [C@H] (O) [C@@H] (O) [C@H]1O) c2=O
Molecular Formula
C27H30O14
Molecular Weight
578.523
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[(2S,3R,4S,5S)-4,5-Dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CAS Number1427511-60-1
PubChem CID146116234
IUPAC Name3-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Molecular FormulaC27H30O14
Molecular Weight578.5
XLogP0
Topological Polar Surface Area214
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity952
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](CO[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)OC)C5=CC=C(C=C5)O)O)O)O)O)O
InChI
InChI=1S/C27H30O14/c1-10-18(31)21(34)22(35)26(38-10)41-25-19(32)15(30)9-37-27(25)40-24-20(33)17-14(29)7-13(36-2)8-16(17)39-23(24)11-3-5-12(28)6-4-11/h3-8,10,15,18-19,21-22,25-32,34-35H,9H2,1-2H3/t10-,15-,18-,19-,21+,22+,25+,26-,27-/m0/s1
InChIKey
CXHUPWPOQYWQCP-JKCFQFSKSA-N
Chemical Structure
2D Structure
2D structure of 3-[(2S,3R,4S,5S)-4,5-Dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CAS: 1427511-60-1
CID: 146116234
Formula: C27H30O14
MW: 578.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.5
XLogP30
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass578.16355563
Monoisotopic Mass578.16355563
Topological Polar Surface Area214 Ų
Heavy Atom Count41
Formal Charge0
Complexity952
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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CatalogName
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