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Apobioside

CAT: 0013-GTR19231595-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231595-05Size:5 mg
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Description
Apobioside (CAS 1941-73-7) is a natural product standard used in biochemical research. It serves as a reference compound in studies investigating its biological activities, including potential applications in pharmacological and metabolic research conducted in vitro.
CAS Number
1941-73-7
Smiles
COC1CC (OC2CCC3 (C=O) C (CCC4C3CCC3 (C) C (CCC43O) C3=CC (=O) OC3) C2) OC (C) C1OC1OC (CO) C (O) C (O) C1O
Molecular Formula
C36H54O13
Molecular Weight
694.815
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Apobioside
CAS Number1941-73-7
PubChem CID74218732
IUPAC Name14-hydroxy-3-[4-methoxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Molecular FormulaC36H54O13
Molecular Weight694.8
XLogP0.7
Topological Polar Surface Area191
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count49
Formal Charge0
Complexity1280
SMILES
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)OC)OC7C(C(C(C(O7)CO)O)O)O
InChI
InChI=1S/C36H54O13/c1-18-32(49-33-31(42)30(41)29(40)26(15-37)48-33)25(44-3)14-28(46-18)47-21-6-10-35(17-38)20(13-21)4-5-24-23(35)7-9-34(2)22(8-11-36(24,34)43)19-12-27(39)45-16-19/h12,17-18,20-26,28-33,37,40-43H,4-11,13-16H2,1-3H3
InChIKey
CSVNMGCNZRUZHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Apobioside
CAS: 1941-73-7
CID: 74218732
Formula: C36H54O13
MW: 694.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight694.8
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass694.35644177
Monoisotopic Mass694.35644177
Topological Polar Surface Area191 Ų
Heavy Atom Count49
Formal Charge0
Complexity1280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count17
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T125461-01Apobioside

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