(8R)-8-ethyl-2,3,8-trimethylchromene-4,7-dione

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Basic information

CAS: 123421-05-6
Standard SMILES: CC[C@@]1(C)C(=O)C=Cc2c1oc(C)c(C)c2=O
InChIKey: QMMMQWRPZIJGPT-AWEZNQCLSA-N
Molecular formula: C14H16O3
Average molar mass: 232.27 g/mol
Monoisotopic mass: 232.10994437

Overview

Spiciferone A is a pyranone.

Names & identifiers

Preferred name: (8R)-8-ethyl-2,3,8-trimethylchromene-4,7-dione
IUPAC: (8R)-8-ethyl-2,3,8-trimethylchromene-4,7-dione
English name: 2,3,8-Trimethyl-4H-1-benzopyran-4,7(8H)-dione
Molecular weight: 0

Names & synonyms

(8R)-8-ethyl-2,3,8-trimethylchromene-4,7-dione(-)-Spiciferone Aorb1990738DTXSID40924498CHEBI:219445AKOS040736119T1261758-Ethyl-2,3,8-trimethyl-4H-1-benzopyran-4,7(8H)-dione(8R)-8-Ethyl-2,3,8-trimethyl-4H-1-benzopyran-4,7(8H)-dione4H-1-Benzopyran-4,7(8H)-dione, 8-ethyl-2,3,8-trimethyl-, (8R)-Spiciferone A2,3,8-Trimethyl-4H-1-benzopyran-4,7(8H)-dione

Database identifiers

CAS: 123421-05-6
PubChem CID: 180199
DTXSID: DTXSID40924498
ChEBI: CHEBI:219445
Nikkaji: J3.614.406H

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 506

Related reactions

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Compound notes

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