(-)-Deguelin

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Systematic / IUPAC Name: (7aS,13aS)-9,10-Dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-H]chromen-7(7aH)-one

ID: Reference5828

Other Names: (-)-cis-Deguelin;
Deguelin;
(7as,13as)-13,13a-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-E]pyran-7(7ah)-one;
13,13aS-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-[1]benzopyrano[3,4-b]pyrano[2,3-H][1]benzopyran-7(7aS)-one;
3H-[1]Benzopyrano[3,4-b]pyrano[2,3-H][1]benzopyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)- ; more

Formula: C23H22O6

Class: Endogenous Metabolites

Spectral Data

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

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/26/2016 7:54:28 AM
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Identificators

InChI InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1
InChI Key ORDAZKGHSNRHTD-UXHICEINSA-N
Canonical SMILES CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)C
CAS 522178
Splash
Other Names (-)-cis-Deguelin;
Deguelin;
(7as,13as)-13,13a-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-E]pyran-7(7ah)-one;
13,13aS-Dihydro-9,10-dimethoxy-3,3-dimethyl-3H-[1]benzopyrano[3,4-b]pyrano[2,3-H][1]benzopyran-7(7aS)-one;
3H-[1]Benzopyrano[3,4-b]pyrano[2,3-H][1]benzopyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-;
3H-Bis(1)benzopyrano(3,4-b:6',5'-E)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS,13aS)-;
3H-Bis(1)benzopyrano(3,4-b:6',5'-E)pyran-7(7aH)-one, 13,13a-dihydro-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis-)-

In Other Databases

Wikipedia Deguelin
ChemSpider 97058
KEGG C10417
ChEBI CHEBI:4357
ChemIDPlus 000522178
ChEMBL CHEMBL393417
PubChem 107935