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Yinxiancaoside C

CAT: 0013-GTR19237045-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237045-02Size:100 mg
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Description
Yinxiancaoside C has antitumor effect.
CAS Number
1159908-74-3
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C27H30O14
Molecular Weight
578.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Yinxiancaoside C
CAS Number1159908-74-3
PubChem CID162639194
IUPAC Name(2R,3R)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[2,3-f][1,4]benzodioxin-9-one
Molecular FormulaC27H30O14
Molecular Weight578.5
XLogP0.3
Topological Polar Surface Area192
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity904
SMILES
COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)[C@@H]3[C@H](OC4=C5C(=CC(=C4O3)OC)C=CC(=O)O5)CO
InChI
InChI=1S/C27H30O14/c1-34-13-7-12(8-14(35-2)24(13)41-27-21(33)20(32)19(31)16(9-28)38-27)22-17(10-29)37-26-23-11(4-5-18(30)39-23)6-15(36-3)25(26)40-22/h4-8,16-17,19-22,27-29,31-33H,9-10H2,1-3H3/t16-,17-,19-,20+,21-,22-,27+/m1/s1
InChIKey
CFXXDPDYZLDBBH-MLLLHHPHSA-N
Chemical Structure
2D Structure
2D structure of Yinxiancaoside C
CAS: 1159908-74-3
CID: 162639194
Formula: C27H30O14
MW: 578.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.5
XLogP30.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass578.16355563
Monoisotopic Mass578.16355563
Topological Polar Surface Area192 Ų
Heavy Atom Count41
Formal Charge0
Complexity904
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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