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Mniopetal E

CAT: 0013-GTR19256050-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256050-02Size:10 mg
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Description
Mniopetal E is a reverse transcriptase inhibitor that can be found in Mniopetalum sp. 87256.
CAS Number
158761-02-5
Field of Research
Infectious Disease & Virology
Smiles
O=C1[C@@]23[C@] (C (C=O) =CC[C@]2 (C (C) (C) C[C@H] (O) [C@@H]3O) [H]) ([C@@H] (O) O1) [H]
Molecular Formula
C15H20O6
Molecular Weight
296.316
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mniopetal E

Mniopetal E is a naphthofuran.

CAS Number158761-02-5
PubChem CID385565
IUPAC Name(3S,3aS,6aS,9S,10R,10aR)-3,9,10-trihydroxy-7,7-dimethyl-1-oxo-3a,6,6a,8,9,10-hexahydro-3H-benzo[d][2]benzofuran-4-carbaldehyde
Molecular FormulaC15H20O6
Molecular Weight296.31
XLogP-0.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity524
SMILES
CC1(C[C@@H]([C@@H]([C@@]23[C@H]1CC=C([C@@H]2[C@H](OC3=O)O)C=O)O)O)C
InChI
InChI=1S/C15H20O6/c1-14(2)5-8(17)11(18)15-9(14)4-3-7(6-16)10(15)12(19)21-13(15)20/h3,6,8-12,17-19H,4-5H2,1-2H3/t8-,9-,10+,11-,12-,15+/m0/s1
InChIKey
FCQQCKZJCMQQPN-DKCZEEBHSA-N
Chemical Structure
2D Structure
2D structure of Mniopetal E
CAS: 158761-02-5
CID: 385565
Formula: C15H20O6
MW: 296.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.31
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass296.12598835
Monoisotopic Mass296.12598835
Topological Polar Surface Area104 Ų
Heavy Atom Count21
Formal Charge0
Complexity524
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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