Adynerin

CAT: 0931-TN1075-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN1075-03Size:10 mg

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CAS Number

35109-93-4

Target

Others

Related Pathways

Others

Purity

0.9812

Bioactivity

Adynerin is a steroid found in the herbs of Nerium oleander.

Smiles

[H][C@@]1(C[C@@H](OC)[C@@H](O)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@]([H])(CC[C@@]34O[C@@]33CC[C@H](C5=CC(=O)OC5)[C@@]3(C)CC[C@]24[H])C1

Molecular Formula

C30H44O7

Molecular Weight

516.67

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	35109-93-4
PubChem CID	441840
IUPAC Name	3-[(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 Formula	C30H44O7
Molecular Weight	516.7
XLogP	3.1
Topological Polar Surface Area	86.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	37
Formal Charge	0
Complexity	996

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

CAS: 35109-93-4

CID: 441840

Formula: C30H44O7

MW: 516.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	516.7
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	516.30870374
Monoisotopic Mass	516.30870374
Topological Polar Surface Area	86.8 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	996
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19166824-01	Adynerin

Adynerin

Chemical Information

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