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Betulinaldehyde

CAT: 0013-GTR19170819-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170819-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Betulinaldehyde (Betunal) is a bioactive small molecule with demonstrated inhibitory activity against Saccharomyces sp. and alpha-glucosidase. It exhibits anti-proliferative effects, inducing apoptosis in mouse B16 2F2 melanoma cells and inhibiting +SA mammary epithelial cells, supporting research in oncology and metabolic studies.
CAS Number
13159-28-9
Product Name Alternative
Betunal, Betulinic aldehyde, Betulinal, Betulinaldehyde, Apoptosis inducer, Bacterial
Field of Research
Cell Biology, Infectious Disease & Virology
Purity
≥95% (May vary between batches)
Solubility
Chloroform, Dichloromethane, Ethyl Acetate, Acetone:Soluble;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.27 mM) ; DMSO:1 mg/mL (2.27 mM)
Smiles
[H][C@]12[C@@H] (CC[C@@]1 (CC[C@]1 (C) [C@]2 ([H]) CC[C@]2 ([H]) [C@@]3 (C) CC[C@H] (O) C (C) (C) [C@]3 ([H]) CC[C@@]12C) C=O) C (C) =C
Molecular Formula
C30H48O2
Molecular Weight
440.7
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Betulinaldehyde

Lup-20(29)-en-28-al, 3beta-hydroxy- is a triterpenoid.

CAS Number13159-28-9
PubChem CID99615
IUPAC Name(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
Molecular FormulaC30H48O2
Molecular Weight440.7
XLogP8.1
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count32
Formal Charge0
Complexity814
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C=O
InChI
InChI=1S/C30H48O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h18,20-25,32H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
InChIKey
FELCJAPFJOPHSD-ROUWMTJPSA-N
Chemical Structure
2D Structure
2D structure of Betulinaldehyde
CAS: 13159-28-9
CID: 99615
Formula: C30H48O2
MW: 440.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
XLogP38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass440.365430770
Monoisotopic Mass440.365430770
Topological Polar Surface Area37.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity814
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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