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Limonin

CAT: 1568-C16771-02Size: 200 mgDry Ice: YesHazardous: No
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CAT#:1568-C16771-02Size:200 mg
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CAS Number
1180-71-8
SKU
C16771-200mg
Target
HIV Protease
Applications
Proteases
Smiles
CC1 (C2CC (=O) C3 (C (C24COC (=O) CC4O1) CCC5 (C36C (O6) C (=O) OC5C7=COC=C7) C) C) C
Molecular Formula
C26H30O8
Additionnal Information
Limonin is a triterpenoid enriched in citrus fruits, which has antivirus and antitumor ability.
Storage Conditions
2 years -80 in solvent

Chemical Information

Limonin

Limonin is a member of furans, a lactone, an epoxide, a limonoid, an organic heterohexacyclic compound and a hexacyclic triterpenoid. It has a role as a metabolite, a volatile oil component and an inhibitor.

CAS Number1180-71-8
PubChem CID179651
IUPAC Name(1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione
Molecular FormulaC26H30O8
Molecular Weight470.5
XLogP1.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count34
Formal Charge0
Complexity1010
SMILES
C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C
InChI
InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChIKey
KBDSLGBFQAGHBE-MSGMIQHVSA-N
Chemical Structure
2D Structure
2D structure of Limonin
CAS: 1180-71-8
CID: 179651
Formula: C26H30O8
MW: 470.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.5
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass470.19406791
Monoisotopic Mass470.19406791
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity1010
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

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CatalogName
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