Basic information
- CAS
123266-22-8- Standard SMILES
CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(O)CCCCCC2CC(CC(C)=O)C(=O)O2)O1- InChIKey
DGQPZGGOYKKJLX-UHFFFAOYSA-N- Molecular formula
- C35H64O7
- Average molar mass
- 596.9 g/mol
- Monoisotopic mass
- 596.46520438
Overview
Isoannonacin has been reported in Annona muricata, Asimina angustifolia, and other organisms with data available.
Names & identifiers
- Preferred name
- annonacin-A-one
- IUPAC
- 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
- English name
- 5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-o xopropyl)oxolan-2-one
- Molecular formula
- C35H64O7
- Molecular weight
- 596.88
Names & synonyms
Annonacin-A-one170900-30-8RefChem:915911Isoannonacin ANSC6185715-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one5-{6,11-DIHYDROXY-11-[5-(1-HYDROXYTRIDECYL)OXOLAN-2-YL]UNDECYL}-3-(2-OXOPROPYL)OXOLAN-2-ONE5-[6,11-DIHYDROXY-11-[5-(1-HYDROXYTRIDECYL)OXOLAN-2-YL]UNDECYL]-3-(2-O XOPROPYL)OXOLAN-2-ONECHEMBL446074SCHEMBL31497489DTXSID50937857LMFA05000669
Show more names
Annonacin-A-one Gold Supplier2(3H)-Furanone, 5-[6,11-dihydroxy-11-[tetrahydro-5-(1-hydroxytridecyl)-2-furanyl]undecyl]dihydro-3-(2-oxopropyl)-, [2R-[2α[1(3S*,5R*),6R*,9R*],5β(S*)]]- (9CI)
NSC-6185715-(6,11-Dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-2(3H)-furanone (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(S*)))-NCI60_005598Q576176192(3H)-Furanone, 5-(6,11-dihydroxy-11-(tetrahydro-5-(1-hydroxytridecyl)-2-furanyl)undecyl)dihydro-3-(2-oxopropyl)-, (2R-(2alpha(1(3S*,5R*),6R*,9R*),5beta(S*)))-3-acetonyl-5-[6,11-dihydroxy-11-[5-(1-hydroxytridecyl)tetrahydrofuran-2-yl]undecyl]tetrahydrofuran-2-one5-(6,11-Dihydroxy-11-(5-(1-hydroxytridecyl)tetrahydro-2-furanyl)undecyl)-3-(2-oxopropyl)dihydro-2(3H)-furanone
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 26
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 713
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Melting Point91 - 92 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Suppliers1 total
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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