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Longilactone

CAT: 0013-GTR19227893-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19227893-01Size:1 mg
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Description
Longilactone
CAS Number
129587-09-3
Field of Research
Signal Transduction
Smiles
C[C@]12[C@]3 ([C@]4 (C) [C@@] ([C@@H] (O) [C@]1 (OC (=O) [C@]2 ([C@@H] (C) [C@@H] (O) [C@@H]3O) [H]) [H]) (C (C) =CC (=O) [C@H]4O) [H]) [H]
Molecular Formula
C19H26O7
Molecular Weight
366.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Longilactone

Longilactone has been reported in Eurycoma longifolia with data available.

CAS Number129587-09-3
PubChem CID45783039
IUPAC Name(2S,3S,8R,9S,13R,14R,15S,16R)-3,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-5-ene-4,11-dione
Molecular FormulaC19H26O7
Molecular Weight366.4
XLogP-0.6
Topological Polar Surface Area124
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Heavy Atom Count26
Formal Charge0
Complexity717
SMILES
C[C@H]1[C@H]([C@H](C2[C@@]3(C1C(=O)O[C@@H]3[C@@H](C4[C@@]2([C@@H](C(=O)C=C4C)O)C)O)C)O)O
InChI
InChI=1S/C19H26O7/c1-6-5-8(20)15(24)18(3)9(6)12(22)16-19(4)10(17(25)26-16)7(2)11(21)13(23)14(18)19/h5,7,9-16,21-24H,1-4H3/t7-,9?,10?,11-,12-,13-,14?,15-,16-,18+,19+/m1/s1
InChIKey
KBBRVTNGCNCUCX-IRLOYWMGSA-N
Chemical Structure
2D Structure
2D structure of Longilactone
CAS: 129587-09-3
CID: 45783039
Formula: C19H26O7
MW: 366.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.4
XLogP3-0.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count0
Exact Mass366.16785316
Monoisotopic Mass366.16785316
Topological Polar Surface Area124 Ų
Heavy Atom Count26
Formal Charge0
Complexity717
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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