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Oleaside E

CAT: 0013-GTR19231701-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231701-01Size:1 mg
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Description
Oleaside E (CAS 71659-75-1) is a natural product utilized as a reference standard in research. It is applied in phytochemical and pharmacological studies, serving as a key compound for in vitro analysis of bioactive constituents from plant sources.
CAS Number
71659-75-1
Smiles
[H][C@]12CC[C@@]34CC[C@H] (C5=CC (=O) OC5) [C@@] (C) (CCC3[C@@]1 (C) CC[C@@H] (C2) OC1CC (OC) C (OC2OC (COC3OC (CO) C (O) C (O) C3O) C (O) C (O) C2O) C (C) O1) C4=O
Molecular Formula
C42H64O17
Molecular Weight
840.957
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oleaside E
CAS Number71659-75-1
PubChem CID23928055
IUPAC Name3-[(1R,4R,6S,9S,13R,14R)-6-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-9,13-dimethyl-17-oxo-14-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]-2H-furan-5-one
Molecular FormulaC42H64O17
Molecular Weight840.9
XLogP-0.2
Topological Polar Surface Area250
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Heavy Atom Count59
Formal Charge0
Complexity1580
SMILES
CC1C(C(CC(O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@]45C3CC[C@@](C4=O)([C@H](CC5)C6=CC(=O)OC6)C)C)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O
InChI
InChI=1S/C42H64O17/c1-19-36(59-38-35(50)33(48)31(46)26(58-38)18-54-37-34(49)32(47)30(45)25(16-43)57-37)24(52-4)15-29(55-19)56-22-6-9-40(2)21(14-22)5-11-42-12-7-23(20-13-28(44)53-17-20)41(3,39(42)51)10-8-27(40)42/h13,19,21-27,29-38,43,45-50H,5-12,14-18H2,1-4H3/t19?,21-,22+,23-,24?,25?,26?,27?,29?,30?,31?,32?,33?,34?,35?,36?,37?,38?,40+,41-,42-/m1/s1
InChIKey
YUXPMUIKXCUNQY-DCCRIRPPSA-N
Chemical Structure
2D Structure
2D structure of Oleaside E
CAS: 71659-75-1
CID: 23928055
Formula: C42H64O17
MW: 840.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight840.9
XLogP3-0.2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count17
Rotatable Bond Count10
Exact Mass840.41435057
Monoisotopic Mass840.41435057
Topological Polar Surface Area250 Ų
Heavy Atom Count59
Formal Charge0
Complexity1580
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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