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Rollinone

CAT: 0013-GTR19192851-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192851-01Size:25 mg
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Description
Rollinone is a cytotoxic acetogenin compound used in biochemical research. It is applied in studies of mitochondrial complex I inhibition and has been utilized in both in vitro cytotoxicity assays and in vivo models investigating its effects on cellular metabolism and viability.
CAS Number
92594-03-1
Smiles
CCCCCCCCCCC (O) C1CCC (O1) C1CCC (O1) C (O) CCCCCCCCCCC1CC (CC (C) =O) C (=O) O1
Molecular Formula
C37H66O7
Molecular Weight
622.928
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rollinone

5-[11-Hydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one has been reported in Annona papilionella, Annona squamosa, and Annona reticulata with data available.

CAS Number92594-03-1
PubChem CID130310
IUPAC Name5-[11-hydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
Molecular FormulaC37H66O7
Molecular Weight622.9
XLogP9.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count25
Heavy Atom Count44
Formal Charge0
Complexity788
SMILES
CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O
InChI
InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3
InChIKey
KGGVWMAPBXIMEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rollinone
CAS: 92594-03-1
CID: 130310
Formula: C37H66O7
MW: 622.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight622.9
XLogP39.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count25
Exact Mass622.48085444
Monoisotopic Mass622.48085444
Topological Polar Surface Area102 Ų
Heavy Atom Count44
Formal Charge0
Complexity788
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T34384-01Rollinone

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