Products for Research Use Only

Alisol G

CAT: 0013-GTR19164497-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164497-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alisol G (25-Anhydroalisol A) is a natural triterpenoid isolated from Rhizoma Alismatis. It acts as a selective inhibitor of human carboxylesterase 2 (hCE2), making it a valuable research tool for investigating hCE2 function in drug metabolism and prodrug activation in both in vitro and in vivo studies.
CAS Number
155521-46-3
Product Name Alternative
HCE2, Inhibitor, inhibit, 25-Anhydroalisol A, Alisol G, Alisol-G
Field of Research
Metabolism Research
Purity
98.17% (May vary between batches)
Solubility
DMSO:4.73 mg/mL (10.01 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.12 mM)
Smiles
[H][C@@]12CC[C@@]3 (C) [C@@] ([H]) ([C@@H] (O) CC4=C (CC[C@]34C) [C@H] (C) C[C@H] (O) [C@@H] (O) C (C) =C) [C@@]1 (C) CCC (=O) C2 (C) C
Molecular Formula
C30H48O4
Molecular Weight
472.7
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

25-Anhydroalisol A
CAS Number155521-46-3
PubChem CID76314443
IUPAC Name(5R,8S,9S,10S,11S,14R)-17-[(2R,4S,5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC30H48O4
Molecular Weight472.7
XLogP5.1
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity901
SMILES
C[C@H](C[C@@H]([C@H](C(=C)C)O)O)C1=C2C[C@@H]([C@H]3[C@]4(CCC(=O)C([C@@H]4CC[C@@]3([C@]2(CC1)C)C)(C)C)C)O
InChI
InChI=1S/C30H48O4/c1-17(2)25(34)21(31)15-18(3)19-9-13-29(7)20(19)16-22(32)26-28(6)12-11-24(33)27(4,5)23(28)10-14-30(26,29)8/h18,21-23,25-26,31-32,34H,1,9-16H2,2-8H3/t18-,21+,22+,23+,25+,26+,28+,29+,30+/m1/s1
InChIKey
WLNDANGOFVYODW-XCXJHVMUSA-N
Chemical Structure
2D Structure
2D structure of 25-Anhydroalisol A
CAS: 155521-46-3
CID: 76314443
Formula: C30H48O4
MW: 472.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight472.7
XLogP35.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass472.35526001
Monoisotopic Mass472.35526001
Topological Polar Surface Area77.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity901
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes