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Limonin

CAT: 1596-AR-L08164-03Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L08164-03Size:100 Units
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CAS Number
1180-71-8
Synonyms
(2aR,4aR,4bR,5aS,8S,8aS,10aR,10bR,14aS) -8- (3-furanyl) decahydro-2,2,4a,8a-tetramethyl-11H,13H-oxireno[d]pyrano[4',3':3,3a]isobenzofuro[5,4-f][2]benzopyran-4,6,13 (2H,5aH) -trione
Molecular Formula
C26H30O8
Molecular Weight
470.5
API Name
Limonoid

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
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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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AR-L01678-01(R) - (+) -Limonene-d3
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CatalogName
L050-5MGLimonin

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