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Adynerin

CAT: 0804-HY-N2476-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2476-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Adynerin is a natural steroid found in the herbs of Nerium oleander.
CAS Number
35109-93-4
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/adynerin.html
Purity
99.73
Solubility
DMSO : 10 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
C[C@@]12[C@]3(CC[C@@H]2C4=CC(OC4)=O)[C@]5([C@]([C@@]6([C@](C[C@@H](O[C@@]7([H])C[C@H]([C@@H](O)[C@@H](C)O7)OC)CC6)([H])CC5)C)([H])CC1)O3
Molecular Formula
C30H44O7
Molecular Weight
516.67
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(3beta,5beta)-3-((2,6-Dideoxy-3-O-methyl-beta-D-lyxo-hexopyranosyl)oxy)-8,14-epoxycard-20(22)-enolide

Adynerin is a cardenolide glycoside.

CAS Number35109-93-4
PubChem CID441840
IUPAC Name3-[(1S,3R,6R,7R,10R,11S,14S,16R)-14-[(2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7,11-dimethyl-2-oxapentacyclo[8.8.0.01,3.03,7.011,16]octadecan-6-yl]-2H-furan-5-one
Molecular FormulaC30H44O7
Molecular Weight516.7
XLogP3.1
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity996
SMILES
C[C@@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@]45[C@@H]3CC[C@]6([C@]4(O5)CC[C@@H]6C7=CC(=O)OC7)C)C)OC)O
InChI
InChI=1S/C30H44O7/c1-17-26(32)22(33-4)15-25(35-17)36-20-6-9-27(2)19(14-20)5-11-29-23(27)8-10-28(3)21(7-12-30(28,29)37-29)18-13-24(31)34-16-18/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22-,23-,25+,26+,27+,28-,29+,30-/m1/s1
InChIKey
BYZQVAOKDQTHHP-QFUJVLJYSA-N
Chemical Structure
2D Structure
2D structure of (3beta,5beta)-3-((2,6-Dideoxy-3-O-methyl-beta-D-lyxo-hexopyranosyl)oxy)-8,14-epoxycard-20(22)-enolide
CAS: 35109-93-4
CID: 441840
Formula: C30H44O7
MW: 516.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.7
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass516.30870374
Monoisotopic Mass516.30870374
Topological Polar Surface Area86.8 Ų
Heavy Atom Count37
Formal Charge0
Complexity996
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19166824-01Adynerin

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