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Cynanoside J

CAT: 0804-HY-N12720Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N12720Size:1 Each
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Description
Cynanoside J is a C21 steroidal glycosides that can be obtained from Cynanchum taihangense. The IC50 values of Cynanoside J for HL-60, THP1, and Caco2 are 6.38, 5.82, and 6.76 μM, respectively. Cynanoside J can be used in cancer research[1].
CAS Number
1800029-53-1
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cynanoside-j.html
Solubility
10 mM in DMSO
Smiles
C[C@]12[C@]([C@@](O3)([H])CO2)([H])C(CC[C@@]([C@]4(CC5)C)([H])[C@](CC=C4C[C@H]5O[C@H](O[C@@H]6C)C[C@@H]([C@@H]6O[C@H](O[C@@H]7C)C[C@@H]([C@@H]7O[C@H](O[C@H]8C)C[C@@H]([C@H]8O)OC)O)OC)([H])C3=O)=CO1
Molecular Formula
C41H62O14
Molecular Weight
778.92
References & Citations
[1]Wang Y B, Su S S, Chen S F, et al. C21 steroidal glycosides with cytotoxic activity from Cynanchum taihangense. Phytochemistry Letters, 2017, 20: 218-223.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Cynanoside J

Cynanoside J has been reported in Vincetoxicum sublanceolatum, Vincetoxicum versicolor, and Vincetoxicum atratum with data available.

CAS Number1800029-53-1
PubChem CID171391396
IUPAC Name(4S,5R,8S,13R,16S,19R,22R)-8-[(2R,4S,5R,6R)-5-[(2S,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5,19-dimethyl-15,18,20-trioxapentacyclo[14.5.1.04,13.05,10.019,22]docosa-1(21),10-dien-14-one
Molecular FormulaC41H62O14
Molecular Weight778.9
XLogP2.8
Topological Polar Surface Area159
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count55
Formal Charge0
Complexity1460
SMILES
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC)O[C@H]4CC[C@@]5([C@H]6CCC7=CO[C@@]8([C@H]7[C@@H](CO8)OC(=O)[C@@H]6CC=C5C4)C)C)C)C)OC)O
InChI
InChI=1S/C41H62O14/c1-20-36(43)29(45-6)16-34(49-20)54-37-21(2)50-32(15-28(37)42)55-38-22(3)51-33(17-30(38)46-7)52-25-12-13-40(4)24(14-25)9-10-26-27(40)11-8-23-18-47-41(5)35(23)31(19-48-41)53-39(26)44/h9,18,20-22,25-38,42-43H,8,10-17,19H2,1-7H3/t20-,21+,22+,25-,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-/m0/s1
InChIKey
UTQDRWSHVALSEO-BOADQODESA-N
Chemical Structure
2D Structure
2D structure of Cynanoside J
CAS: 1800029-53-1
CID: 171391396
Formula: C41H62O14
MW: 778.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight778.9
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass778.41395665
Monoisotopic Mass778.41395665
Topological Polar Surface Area159 Ų
Heavy Atom Count55
Formal Charge0
Complexity1460
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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