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Cichorioside C

CAT: 0013-GTR19266033-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266033-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cichorioside C is a natural product suitable for biochemical experiments and drug synthesis research.
CAS Number
117013-50-0
Purity
99.42% (May vary between batches)
Smiles
O=C1OC2C=C (C) C (OC3OC (CO) C (O) C (O) C3O) CC=C (C) CC (O) C2C1C
Molecular Formula
C21H32O9
Molecular Weight
428.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cichorioside C

Cichorioside C has been reported in Cichorium intybus with data available.

CAS Number117013-50-0
PubChem CID133562317
IUPAC Name(3R,3aR,4S,6Z,10Z,11aR)-4-hydroxy-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
Molecular FormulaC21H32O9
Molecular Weight428.5
XLogP-0.7
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity690
SMILES
C[C@@H]1[C@@H]2[C@H](C/C(=C\CC(/C(=C\[C@H]2OC1=O)/C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)/C)O
InChI
InChI=1S/C21H32O9/c1-9-4-5-13(29-21-19(26)18(25)17(24)15(8-22)30-21)10(2)7-14-16(12(23)6-9)11(3)20(27)28-14/h4,7,11-19,21-26H,5-6,8H2,1-3H3/b9-4-,10-7-/t11-,12+,13?,14-,15-,16-,17-,18+,19-,21-/m1/s1
InChIKey
JSOWYWSOJSNXRV-UJGOMHJASA-N
Chemical Structure
2D Structure
2D structure of Cichorioside C
CAS: 117013-50-0
CID: 133562317
Formula: C21H32O9
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.5
XLogP3-0.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass428.20463259
Monoisotopic Mass428.20463259
Topological Polar Surface Area146 Ų
Heavy Atom Count30
Formal Charge0
Complexity690
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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