β-Lapachone

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Systematic / IUPAC Name: 2,2-Dimethyl-3,4-dihydro-2H-benzo[H]chromene-5,6-dione

ID: Reference6203

Other Names: β-Lap;
R115 (Reactive blue 2);
ARQ 501 ;
Lapachone, β-;
NSC 26326 ; more

Formula: C15H14O3

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

β-Lapachone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 3082
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/11/2017 7:11:05 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H14O3/c1-15(2)8-7-11-13(17)12(16)9-5-3-4-6-10(9)14(11)18-15/h3-6H,7-8H2,1-2H3
InChI Key QZPQTZZNNJUOLS-UHFFFAOYSA-N
Canonical SMILES CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C
CAS 4707328
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Other Names β-Lap;
R115 (Reactive blue 2);
ARQ 501 ;
Lapachone, β-;
NSC 26326 ;
NSC 629749 ;
SL 11001 ;
2,2-Dimethyl-3,4-dihydrobenzo[H]chromene-5,6-dione;
2H-Naphtho[1,2-b]pyran-5,6-dione, 3,4-dihydro-2,2-dimethyl-;
2H-Naphtho[1,2-b]pyran-5,6-dione, 3,4-dihydro-2,2-dimethyl- ;
3,4-Dihydro-2,2-dimethyl-2H-naphthol[1,2-b]pyran-5,6-dione

In Other Databases

PubChem 3885
ChemSpider 3748
ChemIDPlus 004707328
KEGG C10367
ChEMBL CHEMBL15192
ChEBI CHEBI:10429