Diosbulbin E

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Basic information

CAS: 67567-14-0
Standard SMILES: CC12CC(c3ccoc3)OC(=O)C1CC(O)C1C3CC(CC12)OC3=O
InChIKey: OEIFXOHVCYVTGK-UHFFFAOYSA-N
Molecular formula: C19H22O6
Average molar mass: 346.4 g/mol
Monoisotopic mass: 346.14163842

Overview

Diosbulbin E is an organic heterotricyclic compound and an organooxygen compound.

Names & identifiers

Preferred name: Diosbulbin E
IUPAC: 8-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecane-6,15-dione
English name: (2S)-2β-(3-Furyl)-5,6,6aβ,7,10,11,11aα,11b-octahydro-6α-hydroxy-11bβ-methyl-7β,10β-methano-2H-pyrano[4,3-g][3]benzoxepine-4,8(1H,4aαH)-dione
Molecular formula: C19H22O6
Molecular weight: 346.37

Names & synonyms

Diosbulbin E67567-14-08-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecane-6,15-dione8-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo[11.2.1.0^{2,11}.0^{5,10}]hexadecane-6,15-dione8-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo(11.2.1.0^(2,11).0^(5,10))hexadecane-6,15-dione8-(furan-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo(11.2.1.02,11.05,10)hexadecane-6,15-dioneRefChem:134542DIOSBULBIN-ENSC310636DTXSID10317090CHEBI:175389SCA56714

Show more names

(2S)-2β-(3-Furyl)-5,6,6aβ,7,10,11,11aα,11b-octahydro-6α-hydroxy-11bβ-methyl-7β,10β-methano-2H-pyrano[4,3-g][3]benzoxepine-4,8(1H,4aαH)-dione7,10-Methano-2H-pyrano[4,3-g][3]benzoxepin-4,8(1H,4aH)-dione, 2-(3-furanyl)octahydro-6-hydroxy-11b-methyl-, (2S,4aS,6S,6aS,7R,10R,11aR,11bS)-

NSC-3106362-(Furan-3-yl)-6-hydroxy-11b-methyloctahydro-2H-7,10-methanopyrano[4,3-g][3]benzoxepine-4,8(1H,4aH)-dione8-(uran-3-yl)-3-hydroxy-10-methyl-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecane-6,15-dione

Database identifiers

CAS: 67567-14-0
PubChem CID: 329253
DTXSID: DTXSID10317090
ChEBI: CHEBI:175389

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 86 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 25
Formal charge: 0
Complexity: 605

Experimental & physicochemical properties

Melting Point235 - 237 °C

Physical DescriptionSolid

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Applications

UsesDiosbulbin E is a natural product[1].

Additional notes

DefinitionChEBI: Diosbulbin E is an organic heterotricyclic compound and an organooxygen compound.

Related reactions

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Compound notes

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