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Oleaside A

CAT: 1410-M29332-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Oleaside A is a natural product from Nerium oleander.
CAS Number
69686-84-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
516.7
Molecular Formula
C30H44O7
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Oleaside A
CAS Number69686-84-6
PubChem CID434211
IUPAC Name3-[6-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one
Molecular FormulaC30H44O7
Molecular Weight516.7
XLogP3.6
Topological Polar Surface Area91.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity977
SMILES
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC45C3CCC(C4=O)(C(CC5)C6=CC(=O)OC6)C)C)OC)O
InChI
InChI=1S/C30H44O7/c1-17-26(32)22(34-4)15-25(36-17)37-20-6-9-28(2)19(14-20)5-11-30-12-7-21(18-13-24(31)35-16-18)29(3,27(30)33)10-8-23(28)30/h13,17,19-23,25-26,32H,5-12,14-16H2,1-4H3
InChIKey
DFDVWAJDFYYBAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oleaside A
CAS: 69686-84-6
CID: 434211
Formula: C30H44O7
MW: 516.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.7
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass516.30870374
Monoisotopic Mass516.30870374
Topological Polar Surface Area91.3 Ų
Heavy Atom Count37
Formal Charge0
Complexity977
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count11
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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