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Lancifodilactone F

CAT: 0013-GTR19221983-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221983-01Size:100 mg
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Description
Lancifodilactone F demonstrates anti-HIV activity in vitro with an EC50 of 20.69 μg/mL in C8166 cells and exhibits low cytotoxicity (CC50 >200 μg/mL), yielding a selectivity index >6.62. This natural product is a candidate for virology research, particularly in studying HIV inhibition mechanisms.
CAS Number
850878-47-6
Field of Research
Infectious Disease & Virology, Protein Biochemistry
Smiles
[C@] (CO) (C) (O) [C@]1 ([C@]2 (C[C@@]3 ([C@] (CC1) ([C@@]4 (C) [C@] (C) (CC3) [C@@] ([C@@H] (C (O) =O) C) (CC4) [H]) [H]) [H]) CCC (=O) O2) [H]
Molecular Formula
C25H40O6
Molecular Weight
436.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[8-(1,2-Dihydroxypropan-2-yl)-3a,10b-dimethyl-5'-oxospiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,2'-oxolane]-3-yl]propanoic acid
CAS Number850878-47-6
PubChem CID77916008
IUPAC Name2-[8-(1,2-dihydroxypropan-2-yl)-3a,10b-dimethyl-5'-oxospiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,2'-oxolane]-3-yl]propanoic acid
Molecular FormulaC25H40O6
Molecular Weight436.6
XLogP4.1
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity752
SMILES
CC(C1CCC2(C1(CCC3C2CCC(C4(C3)CCC(=O)O4)C(C)(CO)O)C)C)C(=O)O
InChI
InChI=1S/C25H40O6/c1-15(21(28)29)17-8-11-23(3)18-5-6-19(24(4,30)14-26)25(12-9-20(27)31-25)13-16(18)7-10-22(17,23)2/h15-19,26,30H,5-14H2,1-4H3,(H,28,29)
InChIKey
GFRDTMTUJTYIJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[8-(1,2-Dihydroxypropan-2-yl)-3a,10b-dimethyl-5'-oxospiro[2,3,4,5,5a,6,8,9,10,10a-decahydro-1H-cyclohepta[e]indene-7,2'-oxolane]-3-yl]propanoic acid
CAS: 850878-47-6
CID: 77916008
Formula: C25H40O6
MW: 436.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.6
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass436.28248899
Monoisotopic Mass436.28248899
Topological Polar Surface Area104 Ų
Heavy Atom Count31
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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