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Oleanic aldehyde

CAT: 1410-M39045-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Oleanolic aldehyde is an antimicrobial compound used to inhibit oral bacteria. Oleanolic aldehyde inhibits Streptococcus mutans and Porphyromonas gingivalis, which are associated with dental caries and periodontal disease, with minimum inhibitory concentrations (MICs) of 488 μg/mL and 250 μg/mL, respectively.
CAS Number
17020-22-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
440.7
Molecular Formula
C30H48O2
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Oleanolic aldehyde

Oleanolic aldehyde is a pentacyclic triterpenoid and hydroxyaldehyde that is erythrodiol in which the primary hydroxy group at position 28 has been oxidised to the corresponding aldehyde. It is found in grapes and olives. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a secondary alcohol and a hydroxyaldehyde. It is functionally related to an erythrodiol. It derives from a hydride of an oleanane.

CAS Number17020-22-3
PubChem CID10321055
IUPAC Name(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde
Molecular FormulaC30H48O2
Molecular Weight440.7
XLogP7.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count32
Formal Charge0
Complexity838
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C=O)C)C)(C)C)O
InChI
InChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
InChIKey
STHRNDDZYFUIDO-OSQDELBUSA-N
Chemical Structure
2D Structure
2D structure of Oleanolic aldehyde
CAS: 17020-22-3
CID: 10321055
Formula: C30H48O2
MW: 440.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass440.365430770
Monoisotopic Mass440.365430770
Topological Polar Surface Area37.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity838
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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