Dabinol

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Systematic / IUPAC Name: (2R,6aR,12aR)-6a-Hydroxy-2-(3-hydroxy-1-propen-2-yl)-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-H]chromen-6(6aH)-one

ID: Reference8024

Other Names: Furo[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-2-[1-(hydroxymethyl)ethenyl]-8,9-dimethoxy-, (2R,6aR,12aR)-

Formula: C23H22O8

Spectral Data

Dabinol 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 Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 6/1/2018 11:38:13 AM
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Identificators

InChI InChI=1S/C23H22O8/c1-11(9-24)16-6-13-15(30-16)5-4-12-21(13)31-20-10-29-17-8-19(28-3)18(27-2)7-14(17)23(20,26)22(12)25/h4-5,7-8,16,20,24,26H,1,6,9-10H2,2-3H3/t16-,20-,23-/m1/s1
InChI Key MYQAATJJIDGOMQ-AYPBNUJASA-N
Canonical SMILES COC1=C(C=C2C(=C1)C3(C(CO2)OC4=C(C3=O)C=CC5=C4CC(O5)C(=C)CO)O)OC
CAS
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Other Names Furo[2',3':7,8][1]benzopyrano[2,3-c][1]benzopyran-6(6aH)-one, 1,2,12,12a-tetrahydro-6a-hydroxy-2-[1-(hydroxymethyl)ethenyl]-8,9-dimethoxy-, (2R,6aR,12aR)-

In Other Databases

ChEMBL CHEMBL465761
ChemSpider 23339164
PubChem 44593485