3,8-Dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15 04,13 06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one

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Systematic / IUPAC Name: 3,8-Dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15 04,13 06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one

ID: Reference7546

Other Names: 2,6-Epoxy-2H,8H-oxocino[3,2-b]xanthen-8-one, 3,4,5,6-tetrahydro-7,10-dihydroxy-9,14-dimethoxy-2-methyl-

Formula: C21H20O8

Spectral Data

3,8-Dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15 04,13 06,11]henicosa-2(15),3,6,8,10,13-hexaen-5-one 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
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/14/2018 1:57:08 PM
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Identificators

InChI InChI=1S/C21H20O8/c1-21-8-4-5-11(28-21)13-16(24)14-15(23)12-10(7-6-9(22)17(12)25-2)27-18(14)20(26-3)19(13)29-21/h6-7,11,22,24H,4-5,8H2,1-3H3
InChI Key MTCOVRSZCNNQLP-UHFFFAOYSA-N
Canonical SMILES CC12CCCC(O1)C3=C(C4=C(C(=C3O2)OC)OC5=C(C4=O)C(=C(C=C5)O)OC)O
CAS
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Other Names 2,6-Epoxy-2H,8H-oxocino[3,2-b]xanthen-8-one, 3,4,5,6-tetrahydro-7,10-dihydroxy-9,14-dimethoxy-2-methyl-

In Other Databases

PubChem 24039292
ChemSpider 22369914