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Cissetin

CAT: 0013-GTR19255744-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255744-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cissetin exhibits activity against Gram-positive bacteria (including resistant strains) .
CAS Number
691407-97-3
Field of Research
Infectious Disease & Virology
Smiles
C/C=C/[C@H]1C=C[C@H]2C[C@@H] (CC[C@H]2[C@@]1 (C) /C (=C\3/C (=O) C (N (C3=O) C) C (C) O) /O) C
Molecular Formula
C23H33NO4
Molecular Weight
387.512
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3E)-3-[[(1R,2S,4aR,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)-1-methylpyrrolidine-2,4-dione
CAS Number691407-97-3
PubChem CID173003128
IUPAC Name(3E)-3-[[(1R,2S,4aR,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)-1-methylpyrrolidine-2,4-dione
Molecular FormulaC23H33NO4
Molecular Weight387.5
XLogP4.6
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity752
SMILES
C/C=C/[C@H]1C=C[C@H]2C[C@@H](CC[C@H]2[C@@]1(C)/C(=C\3/C(=O)C(N(C3=O)C)C(C)O)/O)C
InChI
InChI=1S/C23H33NO4/c1-6-7-16-10-9-15-12-13(2)8-11-17(15)23(16,4)21(27)18-20(26)19(14(3)25)24(5)22(18)28/h6-7,9-10,13-17,19,25,27H,8,11-12H2,1-5H3/b7-6+,21-18+/t13-,14?,15+,16+,17-,19?,23+/m1/s1
InChIKey
ALZYMNAJOKGMOH-VILWOXGFSA-N
Chemical Structure
2D Structure
2D structure of (3E)-3-[[(1R,2S,4aR,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(1-hydroxyethyl)-1-methylpyrrolidine-2,4-dione
CAS: 691407-97-3
CID: 173003128
Formula: C23H33NO4
MW: 387.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass387.24095853
Monoisotopic Mass387.24095853
Topological Polar Surface Area77.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity752
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-N15059Cissetin

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