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Dehydrotrametenolic acid

CAT: 0013-GTR19183690-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183690-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dehydrotrametenolic acid, also known as Dehydroeburicoic acid, is a natural triterpenoid that induces necrotic cell death in human glioblastoma cells. Its mechanism involves intracellular calcium overload, mitochondrial dysfunction, and calpain activation, making it a useful research tool for studying cancer cell death pathways in vitro.
CAS Number
6879-05-6
Field of Research
Cell Biology, Immunology & Inflammation, Protein Biochemistry
Smiles
[H][C@@]1 (CC[C@@]2 (C) C3=CC[C@@]4 ([H]) C (C) (C) [C@@H] (O) CC[C@]4 (C) C3=CC[C@]12C) [C@@H] (CCC (=C) C (C) C) C (O) =O
Molecular Formula
C31H48O3
Molecular Weight
468.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dehydroeburicoic Acid

Dehydroeburicoic acid is a bile acid.

CAS Number6879-05-6
PubChem CID15250826
IUPAC Name(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
Molecular FormulaC31H48O3
Molecular Weight468.7
XLogP7.7
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity923
SMILES
CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C)C(=O)O
InChI
InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1
InChIKey
ONFPYGOMAADWAT-OXUZYLMNSA-N
Chemical Structure
2D Structure
2D structure of Dehydroeburicoic Acid
CAS: 6879-05-6
CID: 15250826
Formula: C31H48O3
MW: 468.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.7
XLogP37.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass468.36034539
Monoisotopic Mass468.36034539
Topological Polar Surface Area57.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity923
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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