(3S,6R,6aS,7S)-6,6a,7,8-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione

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Systematic / IUPAC Name: (3S,6R,6aS,7S)-6,6a,7,8-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione

ID: Reference7698

Other Names: Benz[a]anthracene-1,12-dione, 2,3,4,5,6,6a,7,12a-octahydro-6,6a,7,8-tetrahydroxy-3-methyl-, (3S,6R,6aS,7S)-

Formula: C19H20O6

Spectral Data

(3S,6R,6aS,7S)-6,6a,7,8-Tetrahydroxy-3-methyl-2,3,4,5,6,6a,7,12a-octahydro-1,12-tetraphenedione 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 4/4/2018 1:36:52 PM
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Identificators

InChI InChI=1S/C19H20O6/c1-8-5-9-7-13(22)19(25)16(14(9)12(21)6-8)17(23)10-3-2-4-11(20)15(10)18(19)24/h2-4,8,13,16,18,20,22,24-25H,5-7H2,1H3/t8-,13+,16?,18-,19+/m0/s1
InChI Key PKPHZFVECLENRP-QDWLCUAPSA-N
Canonical SMILES CC1CC2=C(C3C(=O)C4=C(C(C3(C(C2)O)O)O)C(=CC=C4)O)C(=O)C1
CAS
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Other Names Benz[a]anthracene-1,12-dione, 2,3,4,5,6,6a,7,12a-octahydro-6,6a,7,8-tetrahydroxy-3-methyl-, (3S,6R,6aS,7S)-

In Other Databases

ChemSpider 22842399
PubChem 23815264